Engineered Barrier System: Physical and Chemical Environment Model Rev 00, ICN 01 ANL-EBS-MD-000033 July 2000 1. PURPOSE The conceptual models described in the “Engineered Barrier System Physical and Chemical Environment Model” (EBS P&CE Model) are intended to estimate the evolution of the physical and chemical conditions within the engineered barrier system (EBS) emplacement drifts. The models’ output is data intended for use in modeling the performance of the EBS, the waste package, and the waste form. The Yucca Mountain Project developed screening criteria for the grading of data, and determined that the physical and chemical environments on and around the drip shield that is part of the EBS are factors important to the post closure safety case. Further, colloid associated radionuclide transport within the EBS has also been found to be important to the post closure safety case. The scopes for this model include: a) develop and document a set of process level models which together constitute the EBS P&CE Model; b) perform calculations of the P&CE of the in-drift based on inputfrom other process model reports or responsible organizations, as necessary; and c) evaluate changes in the bulk P&CE affecting drip shield, waste package, and waste form degradation. Specific tasks and activities of modeling the physical and chemical environment (P&CE) are included in the development plan (CRWMS M&O 1999c). As described in the development plan, the development of this report is coordinated with the development of other EBS analysis/model reports. This EBS P&CE Model report will provide input to the EBS P&CE Performance Assessment Abstraction Model and the EBS Degradation, Flow, and Transport Process Model. The principal objective of this model and analysis activity is to evaluate the changes in the bulk P&CE that affect drip-shield and waste-package degradation and radionuclide migration. 2. QUALITY ASSURANCE This report for the EBS P&CE Model has been prepared according to AP-3.10Q (Analyses and Models). AP-3.10Q is the procedure for planning, developing, validating, and documenting analyses and models. A development plan entitled: Development Plan for EBS Physical & Chemical Environment Model (CRWMS M&O 1999c) was prepared in accordance with AP-2.13Q (“Technical Product Development Planning”). This report has been prepared according to this development plan and applicable quality assurance (QA) controls presented therein. The applicability of the QA program is documented in an activity evaluation according to QAP-2-0 (Conduct of Activities). The activity evaluation: Engineered Barrier System Performance Modeling (CRWMS M&O 1999a) has concluded that this document is qualityaffecting and subject to the QA controls of the Quality Assurance Requirements and Description (DOE 2000). The design analysis: Classification of the MGR Ex-Container System (CRWMS M&O 1999b) was performed in accordance with QAP-2-3 (Classification of Permanent Items). The drip shield ANL-EBS-MD-000033, REV 00 ICN 1 18 July 2000 and other components of the Ex-Container System are identified as QL-1 on the Q-list (YMP 2000). They are therefore important to radiological safety, and important to waste isolation (YMP 2000; p. II-11). The physical and chemical environment is not specifically addressed by the Q-list but is a characteristic of the waste emplacement drift system that primarily affects waste isolation. This analysis/model is identified as quality-affecting, consistent with the Q-List assignments, but with a technical focus on the postclosure environment in the emplacement drifts. Qualified and accepted input data and references have been identified. Unqualified data used in this report are tracked in accordance with AP-3.15Q (Managing Technical Product Inputs). AP- 3.10Q (Analyses and Models) requires that output resulting from unqualified software be designated as unqualified—to-be-verified (TBV) in accordance with AP-3.15Q (Managing Technical Product Inputs). Computer software and model usage is discussed in Section 3 of this report. 3. COMPUTER SOFTWARE AND MODEL USAGE 3.1 THERMAL HYDROLOGY MODEL Software and software routines are used for the Thermal Hydrology (TH) Model portion of the EBS P&CE Model. The resulting output is designated unqualified and must be treated in accordance with AP-3.15Q (Managing Technical Product Inputs). The unqualified software is under configuration management and has software tracking numbers (Table 1a). Further software qualification is required prior to the removal of this TBV. Table 1b contains a list of the CPU’s where these programs were executed. For the models described in this report, thermal-hydrology software is used within the range of validation, where such constraint information is available, or within the range of standard practice, where such information is unavailable. The following subsections describe these codes and routines in more detail. Documentation and validation of some of the software routines are provided in Attachments II through X to this report. Table 2 identifies the types of input and output files used for implementing these codes and routines; it also provides the file-naming extensions assigned to the various input and output files. Table 3 lists the input files used for all NUFT V3.0s runs discussed in this report. Figure 1 illustrates the path of data through the codes and routines. All input and output data files and electronic copies of software routine sources files have been saved electronically (see Attachment I). ANL-EBS-MD-000033, REV 00 ICN 1 19 July 2000 Table 1a. Software Codes and Routines Used for Thermal Hydrology Calculations Software Name Type STN Attachment Codes (Unqualified) NUFT V3.0s Simulation Code 10088-3.0s-00 N/A Routines (qualified per AP-SI.1Q Section 5.1.2) YMESH V1.53 NUFT preprocessor 10172-1.53-00 N/A XTOOL 10.1 NUFT preprocessor 10208-10.1-00 N/A CONVERTCOORDS V1.1 NUFT preprocessor 10209-1.1-00 N/A Routines (see Attachments for Qualification/Validation Documentation) RME6 V1.1 NUFT preprocessor N/A II COVER V1.1 NUFT preprocessor N/A III COLUMNINFILTRATION V1.1 NUFT preprocessor N/A IV CHIM_SURF_TP V1.1 & CHIM_WT_TP V1.1 NUFT preprocessors N/A V MYPLOT V1.1 NUFT postprocessor N/A VI ZONEAVG V1.2 NUFT postprocessor N/A VII VFLUXPROF V1.1 NUFT postprocessor N/A VIII TH+GASMODEL spreadsheets (Version 4; see text) Excel Spreadsheets N/A IX SoluteRK MathCad Files (V1.2; see text) MathCad Files N/A X Table 1b. Software Execution Workstation/PC Name Physical Location s139 LLNL, T1487 Rm 150A s89 LLNL, T1487 Rm 150 s116 LLNL, T1401 Rm 1119 s117 LLNL, T1487 Rm 112 s187 LLNL, T1487 Rm 153 s70 LLNL, T1487 Rm 149 s11 LLNL, T1487 Rm 146 s08 LLNL, T1487 Rm 145 s28 LLNL, T1487 Rm 154 s13 LLNL, T1487 Rm 124 s188 LLNL, T1487 Rm 138 s175 LLNL, T1487 Rm 114 Dell PowerEdge 2200 #112524 Las Vegas, Rm 611 Dell Optiplex #116400 Las Vegas, Rm 1031F ANL-EBS-MD-000033, REV 00 ICN 1 20 July 2000 Table 2. Input and Output Files and File Types Used by Software Codes and Routines (Attachment I) Software Name Number or Validation Input Filename(s) Output Filename(s) NUFT V3.0s 10088-3.0s-00 L4C*.in vtough.pkg dkm-afc-NBS4512= dkm-afc-EBS* outputtime LDTH-SDT-0.3Qheat* run_control_param* L4C*.f.ext L4C*.m.ext L4C*Gflux*.dat L4C*Lflux*.dat YMESH V1.53 10172-1.53-00 LBL99_YMESH L4C4.col.units, lvc1.col.units XTOOL V10.1 10208-10.1-00 L4C*.ext Plot files may be produced CONVERT-COORDS V1.1 10209-1.1-00 pa_pchl1.dat pa_pchm1.dat pa_pchu1.dat pa_monl1.dat pa_monm1.dat pa_monu1.dat pa_glal1.dat pa_glam1.dat pa_glau1.dat Glaciall.NV Glacialm.NV Glacialu.NV Monsoonl.NV Monsoonm.NV Monsoonu.NV Yml.NV Ymm.NV Ymu.NV RME6 V1.1 Attachment II tspa99_primary_mesh UZ99_3.grd L4C*.dat LBL99_YMESH COVER V1.1 Attachment III dft1.dat Shape1.dat COLUMN-INFILTRATION V1.1 Attachment IV Glaciall.NV, Glacialm.NV Glacialu.NV, Monsoonl.NV Monsoonm.NV, Monsoonu.NV Yml.NV, Ymm.NV Ymu.NV Display output CHIM_SURF-_TPV1.1 & CHIM_WT-_TP V1.1 Attachment V bcs_99.txt tspa99_primary_mesh Display output MYPLOT V1.1 Attachment VI L4C*Gflux*.dat L4C*.exl ZONEAVG V1.2 Attachment VII L4C*.f.ext L4C*.m.ext L4C*.f.ext.zavg VFLUXPROF V1.1 Attachment VIII L4C*.f.ext L4C*.m.ext L4C*.m.ext.vflux TH+GAS-MODEL spreadsheets (Version 4; see text) Attachment IX L4C*.exl L4C*.f.ext.zavg L4C*.m.ext.zavg L4C*.f.ext.vflux Display output SoluteRK spreadsheets (V1.2; see text) Attachment X SoluteRK*.xls Display output ANL-EBS-MD-000033, REV 00 ICN 1 21 July 2000 Table 3. NUFT Input Files for Calculations Described in the Thermal Hydrology Model File Type Filename Model: A-1 L4C4 location; “upper” infiltration; 60 MTU/acre (preclosure) NUFT input (.in) file L4C4-LDTH60-1Dds_mc-ui-01v.in Rock properties file dkm_afc-1Dds-mc-ui-00 EBS properties file dkm-afc-pbf-EBS_Rev00 Physical properties files modprop_dr-up-00v Heat generation file LDTH-SDT-0.3Qheat-1e6y_vent-00v Solver control file vtough.pkg Run control file run_control_param_LDTH-v01 Time steps for.ext file output output.times-00v Model: A-2 L4C4 location; “upper” infiltration; 60 MTU/acre (postclosure) NUFT input (.in) file L4C4-LDTH60-1Dds_mc-ui-01.in Rock properties file dkm_afc-ds-NBS-u_inf EBS properties file dkm-afc-EBS_Rev10 Heat generation file LDTH-SDT-0.3Qheat-50y_vent-00 Solver control file vtough.pkg Run control file run_control_param_LDTH-v00 Time steps for .ext file output outputtime Model: A-3 L4C4 location; “upper” infiltration; 60 MTU/acre (initialization without excavation) NUFT input (.in) file L4C4-LDTH60-1Dds_ui-00-i.in Rock properties file dkm_afc-ds-NBS-u_inf Solver control file vtough.pkg Run control file run_control_param_LDTH-v00 Model: B-1 L4C1 location; “lower” infiltration; 60 MTU/acre (preclosure) NUFT input (.in) file L4C4-LDTH60-1Dds_mc-li-01v.in Rock properties file dkm_afc-1Dds-mc-li-00 EBS properties file dkm-afc-pbf-EBS_Rev10 Heat generation file LDTH-SDT-0.3Qheat-1e6y_vent-00v Physical properties files modprop_dr-up-00v Solver control file vtough.pkg Run control file run_control_param_LDTH-v01 Time steps for .ext file output output.times-00v Model: B-2 L4C4 location; “lower” infiltration; 60 MTU/acre (postclosure) NUFT input (.in) file L4C4-LDTH60-1Dds_mc-li-01.in Rock properties file dkm_afc-ds-NBS-l_inf EBS properties file dkm-afc- EBS_Rev10 Heat generation file LDTH-SDT-0.3Qheat-50y_vent-00 Solver control file vtough.pkg Run control file run_control_param_LDTH-v00 Time steps for .ext file output outputtime ANL-EBS-MD-000033, REV 00 ICN 1 22 July 2000 File Type Filename Model: B-3 L4C4 location; “lower” infiltration; 60 MTU/acre (initialization without excavation) NUFT input (.in) file L4C4-LDTH60-1Dds_li-00-i.in Rock properties file dkm_afc-ds-NBS-l_inf Solver control file vtough.pkg Run control file run_control_param_LDTH-v00 Model: C-1 L4C1 location; “upper” infiltration; 36 MTU/acre (preclosure) NUFT input (.in) file L4C1-LDTH36-1Dds_mc-ui-01v.in Rock properties file dkm_afc-1Dds-mc-ui-00 EBS properties file dkm-afc-pbf-EBS_Rev00 Physical properties files modprop_dr-up-00v Heat generation file LDTH-SDT-0.3Qheat-1e6y_vent-00v Solver control file vtough.pkg Run control file run_control_param_LDTH-v01 Time steps for .ext file output output.times-00v Model: C-2 L4C1 location; “upper” infiltration; 36 MTU/acre (postclosure) NUFT input (.in) file L4C1-LDTH36-1Dds_mc-ui-01.in Rock properties file dkm_afc-ds-NBS-u_inf EBS properties file dkm-afc-EBS_Rev10 Heat generation file LDTH-SDT-0.3Qheat-50y_vent-00 Solver control file vtough.pkg Run control file run_control_param_LDTH-v00 Time steps for .ext file output outputtime Model: C-3 L4C1 location; “upper” infiltration; 36 MTU/acre (initialization without excavation) NUFT input (.in) file L4C1-LDTH36-1Dds_ui-00-i.in Rock properties file dkm_afc-ds-NBS-u_inf Solver control file vtough.pkg Run control file run_control_param_LDTH-v00 Model: D-1 L4C1 location; “lower” infiltration; 36 MTU/acre (preclosure) NUFT input (.in) file L4C1-LDTH36-1Dds_mc-li-01v.in Rock properties file dkm_afc-1Dds-mc-li-00 EBS properties file dkm-afc-pbf-EBS_Rev10 Heat generation file LDTH-SDT-0.3Qheat-1e6y_vent-00v Solver control file vtough.pkg Run control file run_control_param_LDTH-v01 Time steps for.ext file output output.times-00v Model: D-2 L4C1 location; “lower” infiltration; 36 MTU/acre (postclosure) NUFT input (.in) file L4C1-LDTH36-1Dds_mc-li-01.in Rock properties file dkm_afc-ds-NBS-l_inf EBS properties file dkm-afc-EBS_Rev10 Heat generation file LDTH-SDT-0.3Qheat-50y_vent-00 Solver control file vtough.pkg Run control file run_control_param_LDTH-v00 Time steps for .ext file output outputtime ANL-EBS-MD-000033, REV 00 ICN 1 23 July 2000 File Type Filename Model: D-3 L4C1 location; “lower” infiltration; 36 MTU/acre (initialization without excavation) NUFT input (.in) file L4C1-LDTH36-1Dds_li-00-i.in Rock properties file dkm_afc-ds-NBS-l_inf Solver control file vtough.pkg Run control file run_control_param_LDTH-v00 ANL-EBS-MD-000033, REV 00 ICN 1 24 July 2000 NOTES: A DTN: MO9911MWDEBSWD.000 (uses same input files as Water Drainage Model) B DTN: LB99EBS1233129.001 (TBV-3826) Figure 1. Path of Input and Output Data Through the Codes and Software Routines Used for Thermal Hydrology Calculations tspa_primary - mesh (relabeled from UZ99_3_3D.mesh), UZ99_3.grd See Note B See Note A RME6 V1.1 YMESH V1.53 (finds stratigraphic column at given location) L4C.col.units * dft1.dat (edit headers) LBL99-YMESH Cover V1.1 (creates plan view block model) shape1.dat Block model element locations vtough.pkg dkm_afc-ds-NBS- _inf dkm-afc-pbf-EBS_Rev10 LDTH-SDT-0.3Qheat-50y_vent. run_control_param_LDTH-v00 * ** outputtime x and y coordinates bcs_99.txt tspa99_primary_mesh Chim_Surf_TP V1.1 Chim_WT_TP V1.1 Display: (interplolated T&P boundary conditions) L4C.in * NUFT V3.0s L4CGflux.datL L4CLflux.dat * * * * xtool V10.1 myplot v1.1 zoneavg V1.2 vfluxprof V1.1 L4C.vflux * L4C.exl * L4C.zavg * th+gas_model-l4c-i-04.xls * * Solute RKV1.2_ - -l4c - i.mcd * * * * L4C.ext * L4C.dat * pa_glaL1.dat pa_glam1.dat pa_glau1.dat pa_monL1.dat pa_monm1.dat pa_monu1.dat pa_pchL1.dat pa_pchm1.dat pa_pchu1.dat ConvertCoords V1.1 (converts UTM to NSP coordinates) Display: (interplolated infiltration rates) FIGURE 1.CDR.Q.DOCUMENTS.AMR.ANL-EBS-MD-000033/4-6-00 Columninfiltration V1.1 (interpolates infiltration at l4c locations) * ANL-EBS-MD-000033, REV 00 ICN 1 25 July 2000 3.1.1 Description of TH Software 3.1.1.1 NUFT NUFT V3.0s (STN: 10088-3.0s-00) is an unqualified software code per AP-SI.1Q (Software Management) and obtained from configuration management (Table 1) (TBV-3828). The key options used for the NUFT V3.0s simulations include the dual permeability model (DKM) and the active-fracture concept (AFC). These modeling methods are options selected in the NUFT V3.0s input files (L4C*.in). NUFT was run on a Sun Ultra 10 workstation with a SunOS 5.6 operating system. NUFT is used to predict the conditions in the EBS and NBS. NUFT is appropriate for this task. This is a thermal-hydrologic simulation code that was selected for the following reasons. NUFT has been used extensively for designing field tests, and interpreting results from those tests. NUFT has flexible input requirements and menu-type code structure. Model grids, including nested meshes, are readily generated and changed if necessary. NUFT implements a set of code features, including vapor pressure lowering, that is needed for thermal-hydrologic modeling. In summary, NUFT includes all code features needed for state-of-the-art modeling of thermalhydrologic processes, is readily applied, and has been used extensively in conjunction with field testing in welded tuff. 3.1.2 Description of TH Software Routines The types of input files, sources of input data, and types of output files used by the routines are shown in Table 2. Figure 1 further illustrates the path of data through routines supported by software packages Microsoft Excel 97, Mathcad 8 Professional, and Matlab. 3.1.2.1 YMESH YMESH V1.53 is a qualified software routine per AP-SI.1Q (Software Management) and was obtained from configuration management (Table 1). YMESH V1.53 is used to develop the model grid to represent Yucca Mountain. It uses as input the grid and mesh files for the UZ model. The thickness of hydrostratigraphic units, as represented in the input files, is interpolated to locations required for TH modeling. YMESH V1.53 was developed for this task and is appropriate software for this application. It was used within the range of validation. YMESH was run on a Sun Ultra 2 workstation with a SunOS 5.5.1 operating system. This routine implements specific processing steps for preparation of input data for NUFT. The routine is a tool that performs specific functions needed to use NUFT, and no further justification for selection of this routine is needed. 3.1.2.2 CONVERTCOORDS CONVERTCOORDS V1.1 is a qualified software routine per AP-SI.1Q (Software Management) and was obtained from configuration management (Table 1a). It is used to convert location data from Universal Transverse Mercator (UTM) coordinates to Nevada State Plane Coordinates (NSPC) and to reformat the input data on net infiltration (Attachment I). The input files are in a ANL-EBS-MD-000033, REV 00 ICN 1 26 July 2000 matrix format, and the output format is in columns for easting, northing, and infiltration value. CONVERTCOORDS was run on a Sun Ultra 2 workstation with a SunOS 5.5.1 operating system. CONVERTCOORDS was developed for this task and is appropriate software for this application. It was used within the range of validation. The routine is a tool that performs specific functions needed to use NUFT, and no further justification for selection of this routine is needed. 3.1.2.3 XTOOL XTOOL V10.1 is a qualified software routine per AP-SI.1Q (Software Management) and was obtained from configuration management (Table 1a). XTOOL is used for graphical visualization of NUFT V3.0s output. The input data are contained in output files from NUFT V3.0s (*.ext). XTOOL was run on a Sun Ultra 10 workstation with a SunOS 5.6 operating system. XTOOL was developed for this task and is appropriate software for this application. It was used within the range of validation. The routine is a tool that performs specific functions needed to use NUFT, and no further justification for selection of this routine is needed. 3.1.2.4 RME6 RME6 V1.1 is a software routine per AP-SI.1Q and is qualified in Attachment II. The purpose of RME6 is to reformat and combine specific input files (“tspa_primary_mesh”, “UZ99_3.grd”, and L4C*.dat). The resulting file (“LBL00_YMESH”) is used by YMESH V1.53 (Figure 1 and Table 1a). The results of this routine meet the objectives, and the routine is determined to be valid for its intended use. Rme6 was run on a Sun Ultra 2 workstation with a SunOS 5.5.1 operating system. Rme6 was developed using a C++ vSC4.2 compiler. The routine is a tool that performs specific functions needed to use NUFT, and no further justification for selection of this routine is needed. 3.1.2.5 COVER COVER V1.1 is a software routine per AP-SI.1Q, and is qualified in Attachment III. The purpose of COVER is to develop a block model of the plan view of the repository that approximates the area and location of emplacement areas. The results of this routine meet the objectives, and the routine is determined to be valid for its intended use. Cover was run on a Sun Ultra 2 workstation with a SunOS 5.5.1 operating system. Cover was developed using Matlab V 5.3.0.10183. The routine is a tool that performs specific functions needed to use NUFT, and no further justification for selection of this routine is needed. 3.1.2.6 COLUMNINFILTRATION COLUMNINFILTRATION V1.1 is a software routine per AP-SI.1Q and is qualified in Attachment IV. The purpose of COLUMNINFILTRATION is to interpolate the infiltration at a given point using a Gaussian weighting function. This routine executes the mathematical operations accurately and is determined to be valid for its intended use. This routine was run on a Sun Ultra 2 workstation with a SunOS 5.5.1 operating system. ColumnInfiltration was developed using C++ vSC 4.2 compiler. The routine is a tool that performs specific functions needed to use NUFT, and no further justification for selection of this routine is needed. ANL-EBS-MD-000033, REV 00 ICN 1 27 July 2000 3.1.2.7 CHIM_SURF_TP and CHIM_WT_TP CHIM_SURF_TP V1.1 and CHIM_WT_TP V1.1 are software routines per AP-SI.1Q and are qualified in Attachment V. The purpose of these routines is to interpolate, using the inversedistance method, the temperature and pressure at the ground surface and at the water table at a given location. These routines execute the expected mathematical operations accurately and are determined to be valid for the intended use. Chim_surf_TP was run on a Sun Ultra 2 workstation with a SunOS 5.5.1 operating system. Chim_surf_TP was developed using a Fortran v SC 4.2 compiler. These routines are tools that perform specific functions needed to use NUFT, and no further justification for selection of these routines is needed. 3.1.2.8 MYPLOT MYPLOT V1.1 is a software routine per AP-SI.1Q and is qualified in Attachment VI. The purpose of this routine is to sort NUFT V3.0s “.ext” file output to produce tables of fluxes between zones in the model domain. The zones are identified by unique material (unit) names in the NUFT V3.0s “.in” and “rocktab” files. MYPLOT produces one “.exl” file for each set of gas or liquid flux output files from NUFT V3.0s (*.dat). Both fracture and matrix fluxes are included by NUFT V3.0s in the output files (*.dat); therefore, both are included in the output from this routine (*.exl). The results of this routine meet the objectives, and the routine is determined to be valid for the intended use. Myplot was run on a Sun Ultra 2 workstation with a SunOS 5.5.1 operating system. Myplot was developed using MatlabV 5.3.0.10183. This routine implements specific processing steps for sorting and visualization of NUFT output. The routine is a tool that performs specific functions needed to use NUFT, and no further justification for selection of this routine is needed. 3.1.2.9 ZONEAVG ZONEAVG V1.2 is a software routine per AP-SI.1Q and is qualified in Attachment VII. The purpose of this routine is to sort NUFT V3.0s output file (*.ext) and to process the information to produce tables of scalar variables averaged over all the grid blocks in each zone. The contribution from each grid block is weighted by the ratio of the cross-sectional area of the block to the total area of the zone. ZONEAVG produces a set of output files (*.zavg) from each NUFT V3.0s output file (*.ext). The results of this routine meet the objectives, and the routine is determined to be valid for the intended use. The routine is written in the “perl” scripting language of SunOS 5.5.1 C shell for Unix, and is compatible with any 5.x version of the perl compiler. The routine was run on a Sun Ultra 2 workstation with SunOS 5.5.1 operating system. The routine is a tool that performs specific functions needed to use NUFT, and no further justification for selection of this routine is needed. 3.1.2.10 VFLUXPROF VFLUXPROF V1.1 is a software routine per AP-SI.1Q and is qualified in Attachment VIII. The purpose of this routine is to sort NUFT V3.0s output files (*.ext) to produce tables containing profiles of the vertical gas-phase flux along the vertical line of grid points passing through the drift center. VFLUXPROF produces a set of output files (*.vflux) from each NUFT V3.0s output ANL-EBS-MD-000033, REV 00 ICN 1 28 July 2000 file (*.ext). The results of this routine meet the objectives, and the routine is determined t0o be valid for the intended use. The routine is written in the “perl” scripting language of SunOS 5.5.1 C shell for Unix, and is compatible with any 5.x version of the perl compiler. The routine was run on a Sun Ultra 2 workstation with SunOS 5.5.1 operating system. The routine is a tool that performs specific functions needed to use NUFT, and no further justification for selection of this routine is needed. 3.1.2.11 TH+GASMODEL Spreadsheets The TH+GASMODEL spreadsheets (file: “th+gas_model-L4C4-ui-04” and related spreadsheet routines; see Attachment IX) are software routines per AP-SI.1Q and are qualified in Attachment IX. These routines implement sorting and simple processing steps which use input based on NUFT output. Specific limitations on the use of these routines, pertaining to the way that the thermal-hydrologic evolution of the EBS is discretized both spatially and temporally, are identified in the attached software routine documentation. The filenames indicate the specific application of these routines, for example, file: “th+gas_model-L4C4-ui-04” is an Excel spreadsheet used for the L4C4 location and the “upper” infiltration conditions. The related routines are used for the “lower” infiltration condition, and for the L4C1 location. These routines are nearly identical except for the input data, with the qualification that the timing of TH changes in the four models requires slightly different organization (clearly indicated by comments in the electronic files, as well as in the attached documentation). For TH calculations, the purpose of these routines is to sort the post-processed output of NUFT V3.0s (*.exl, *.zavg, and *.vflux), organize data on the state of the EBS environment over time, and calculate specific measures of the EBS environment. The routines parse the time axis into a number of discrete steps for which the thermal and hydrologic conditions are held constant to allow for chemical modeling (Section 6.7). The continuously variable-state functions, such as temperature and mass flux, are represented in a stepwise manner. The input data that are organized and parsed in this manner include total (fracture + matrix) liquid and gas fluxes between zones, total (fracture + matrix) liquid water mass in each zone, temperature, fracture air mass-fraction, and total influx and outflux data for use in the SoluteRK calculation. Input is transferred directly (manually) from ZONEAVG V1.2 and MYPLOT V1.1 output files (*.zavg and *.exl). In addition, minimum and maximum values of the fracture airmass fraction and the fracture vertical gas-phase flux, respectively, are transferred directly (manually) from the VFLUXPROF V1.1 output files (*.vflux). The results of these routines meet the objectives, and the routines are determined to be valid for the intended use. The routines are Excel 97 (SR-2) spreadsheets. These routines were run on a Dell Poweredge 2200 PC (Pentium Pro; Windows 95 4.00.950 B). 3.1.2.12 SOLUTERK The SoluteRK MathCad files (V1.2) are a collection of software routines per AP-SI.1Q and are qualified in Attachment X. The purpose of these routines is to process the zone influx and outflux data from the TH+GASMODEL spreadsheets, and to estimate the mass accumulation of an ideal conservative solute caused by evaporation in the EBS. For each stepwise period in time, a system of linear, ordinary differential equations is solved to describe mass transport between ANL-EBS-MD-000033, REV 00 ICN 1 29 July 2000 zones. Input data are transferred manually from the TH+GASMODEL spreadsheets. The results of these routines meet the objectives, and the routines are determined to be valid for the intended use. These routines were developed and compiled using Mathcad 8 Professional (MathSoft 1998), run on a Dell Poweredge 2200 PC (Pentium Pro; Windows 95 V4.00.950 B). 3.2 GAS FLUX AND FUGACITY MODEL The estimation approach for gaseous mass-transfer developed in this part of the EBS P&CE Model is implemented using several Microsoft Excel 97 spreadsheets that are classified as software routines: . gasC14-SD-12-1996dataV1.2.xls —Compile and plot CO2 data from borehole SD-12; compile and plot unit contact depths, matrix saturation, matrix porosity, and fracture porosity for SD-12; compile and plot gas-phase flux and temperature data from NUFT output; and calculate and plot exponential solution for gaseous mass transfer. . gasC14-UZ-6-1995dataV1.2.xls—Compile and plot CO2 data from borehole UZ-6 for comparison to the mass-transfer model developed using SD-12 data. . gasC14-UZ-1-1985dataV1.2.xls—Compile and plot CO2 data from borehole UZ-1 for comparison to the mass-transfer model developed using SD-12 data. . gasC14-NRG-5-1996dataV1.2.xls—Compile and plot CO2 data from borehole NRG-5 for comparison to the mass-transfer model developed using SD-12 data. . gasC14-SD-7-1996dataV1.2.xls—Compile and plot CO2 data from borehole SD-7 for comparison to the mass-transfer model developed using SD-12 data. The foregoing routines are documented and qualified in Attachments XI and XII. The routines accurately implement the required mathematical functions, and are determined to be valid for the intended uses. The routines was run on a Dell Poweredge 2200 PC (Pentium Pro; Windows 95 4.00.950 B) located in Rm # 611 of Summerlin Facilities. In addition, the following routines were discussed previously, and are used in this model: . th+gas_model_L4C4-ui-04.xls—Compile NUFT output for Multiscale Model location L4C4 with the upper distribution of infiltration flux; and calculate and plot lower-bound flux and fugacity for CO2 and O2. Features of this routine are also used for the TH modeling sections of this report. . th+gas_model_L4C4-li-04.xls—Compile NUFT output for Multiscale Model location L4C4 with the lower distribution of infiltration flux; and calculate and plot lower-bound flux and fugacity for CO2 and O2. Features of this routine are also used for the TH modeling sections of this report. . th+gas_model_L4C1-ui-04.xls—Compile NUFT output for Multiscale Model location L4C1 with the upper distribution of infiltration flux; and calculate and plot lower-bound flux and fugacity for CO2 and O2. Features of this routine are also used for the TH modeling sections of this report. ANL-EBS-MD-000033, REV 00 ICN 1 30 July 2000 . th+gas_model_L4C1-li-04.xls—Compile NUFT output for Multiscale Model location L4C1 with the lower distribution of infiltration flux; and calculate and plot lower-bound flux and fugacity for CO2 and O2. Features of this routine are also used for the TH modeling sections of this report. These routines are documented and qualified in Attachment IX, where they are determined to be valid for the intended use. The NUFT calculations used in the Gas Flux and Fugacity Model, development of the input data for the NUFT calculations, and postprocessing of the NUFT calculations (before the data are entered in the “th+gas_model” spreadsheets described previously) are described in the TH modeling sections of this report. 3.3 CEMENTITIOUS MATERIALS MODEL The U.S. Geological Survey (USGS) solution equilibrium modeling code PHREEQC V2.0 (pH-REdox EQuilibrium equation program in C language; STN: 10068-2.0-00) is qualified software, used for the Cementitious Materials Model to assess three types of geochemical effects: . Changes in water and solid composition resulting from groundwater contacting grout . Effects from grout-modified groundwater interacting with the CO2 in the gas phase in the emplacement drift . Effects of the grout- and gas-modified groundwater contacting backfill material PHREEQC is based on an ion-association aqueous model. It uses an equation solver that optimizes a set of equalities subject to both equality and inequality constraints. Constraints are used to determine the thermodynamically stable set of phases in equilibrium with a solution. The PHREEQC code was obtained from configuration management. Two capabilities of PHREEQC were used for this model: (1) speciation and saturation-index (SI) calculations and (2) reactionpath calculations involving specified irreversible reactions and mineral or gas-phase equilibria. All input and output files used for this model were saved (Attachment I). PHREEQC is appropriate for this task and is used only within the range of validation in accordance with APSI. 1Q. The software was run on a Dell PC OptiPlex (Pentium and Windows P5 4.00950B) located in Rm # 1031F of Summerlin Facilities. 3.4 MICROBIAL EFFECTS MODEL No software was used in developing the microbial effects model. 3.5 NORMATIVE PRECIPITATES AND SALTS MODEL An Excel 97 spreadsheet algorithm is used to implement the normative model for precipitates formed by evaporation of waters within a range of composition. The results are used in the Chemical Reference Model to describe the relative abundance of various precipitates formed by ANL-EBS-MD-000033, REV 00 ICN 1 31 July 2000 evaporation. The algorithm is repeated for those few zones and time periods during which evaporation is represented as complete or nearly so. In addition, it is repeated for high-CO2 and low-CO2 conditions to address differences between the laboratory test conditions and predicted repository conditions. The algorithm starts with the qualitative mineral assemblage observed from laboratory tests and the calculated composition of water transferred from zone to zone in the Chemical Reference Model and subject to evaporation. Minerals are then assigned to the evaporite suite to account for the chemical constituents of the water. The algorithm was applied to the laboratory test data, in the following spreadsheets: . normative_hiCO2_synJ13V1.2.xls—Minerals formed by complete evaporation of the synthetic J-13 water used in laboratory tests . normative_hiCO2_SPWV1.2.xls—Minerals formed by complete evaporation of synthetic tuff matrix porewater used in laboratory tests These routines are documented in Attachment XIII, where they are determined to be valid for the intended use. Following are the spreadsheets for the L4C4 location and the “upper” infiltration distribution: . normative_hiCO2_L4C4_ui-zone34-500V1.2.xls—Minerals formed in Zones 3 and 4 (backfill) during the time period from 300 to 700 yr (nominally 500 yr), assuming high-CO2 conditions . normative_hiCO2_L4C4_ui-zone56-1000V1.2.xls—Minerals formed in Zones 5 and 6 (lower backfill and invert) during the time period from 700 to 1500 yr (nominally 1000 yr), assuming high-CO2 conditions These routines are documented in Attachments XIV and XV, where they are determined to be valid for the intended uses. These routine were run on a Dell Poweredge 2200 PC (Pentium Pro; Windows 95 4.00.950 B) located in Rm # 611 of Summerlin Facilities. 3.6 EBS COLLOIDS MODEL An Excel 97 spreadsheet is used to compile, plot, and fit curves to colloid size and abundance data. The routine is implemented in file: “gwcolloidsV1.2.xls” and is documented in Attachment XVI, where it is determined to be valid for the intended use. The routine was run on a Dell Poweredge 2200 PC (Pentium Pro; Windows 95 4.00.950 B) located in Rm # 611 of Summerlin Facilities. ANL-EBS-MD-000033, REV 00 ICN 1 32 July 2000 3.7 CHEMICAL REFERENCE MODEL The chemical reaction modeling code EQ3/6 V7.2b (qualified software, STN: LLNL:UCRLMA- 110662) is used for the Chemical Reference Model. The EQ3/6 V7.2b code was obtained from configuration management. Types of problems to which the code was applied include the following: . Changes in reference water composition resulting from elevated temperature, contact with the host rock, minor gains or losses of solvent water due to condensation/ evaporation, and changes in CO2 fugacity at far-field and near-field locations . Redissolution of precipitates previously formed in the EBS by complete evaporation of influent waters. (The original formation of such precipitates was modeled outside the code using a normative calculation.) . Changes in water composition caused by evaporative concentration (incomplete evaporation) of influent waters, rate-limited interaction with backfill, and changes in temperature and CO2 fugacity within the EBS . Changes in water composition resulting from the processes described in the previous bulleted item and from rate-limited interaction with EBS materials Two capabilities of EQ3/6 were used for this model: (1) the speciation-solubility code EQ3NR and (2) the reaction-path mass-transfer code EQ6. All input and output files used for these calculations were saved (Attachment I). EQ3/6 is appropriate for this task and is used only within the range of validation in accordance with AP-SI.1Q. EQ3/6 results are tabulated and plotted using Excel 97, for which validation is not required, in accordance with AP-SI.1Q. EQ 3/6 was run on a Gateway PC (Pentium II; Windows 98) located in LLNL, T1487 Rm 145. Two software routines introduced for the Normative Precipitates and Salts Model are used to develop mineral assemblages that form when waters evaporate to dryness in the EBS: . normative_hiCO2_L4C4_ui-zone34-500V1.2.xls—Calculates the assemblage of precipitates formed in Zone 3/4 (backfill), during the Time Period 2, from 300 to 700 yr, and the mass of groundwater required to redissolve them in the next time period (based on a water composition modeled using EQ3/6)(for validation see Attachment XIV) . . normative_hiCO2_L4C4_ui-zone56-1000V1.2.xls—Calculates the assemblage of precipitates formed in Zone 5/6 (lower backfill and invert) during the Time Period 3, from 700 to 1500 yr, and the mass of groundwater required to redissolve them in the next time period (based on a water composition modeled using EQ3/6) (for validation see Attachment XV). Input data values for the Chemical Reference Model (L4C4 location, “upper” infiltration distribution) are generated in another routine that was introduced for the Thermal Hydrology Model: ANL-EBS-MD-000033, REV 00 ICN 1 33 July 2000 . th+gas_model-L4C4-ui-04.xls, worksheet: CHEMprobL4C4upper— Compiles data on temperature, liquid influx, liquid outflux, evaporative concentration factor, CO2 fugacity, and O2 fugacity for each composite zone modeled in the Chemical Reference Model (for validation see Attachment IX.) . th+gas_model-L4C4-ui-04.xls, worksheet: Steel— Compiles data on zone temperatures and water composition and computes steel-corrosion rates (for validation see Attachment IX). In addition, a spreadsheet was developed to calculate the surface area of the quartz sand backfill: . OvertonSandAreaV1.2.xls—Computes the surface area from a grain-size distribution (for validation see Attachment XVII). Finally, the CO2 mass balance across all zones, and including the effects of cement leaching, was calculated using another spreadsheet: . CO2balanceV1.2.xls—Computes the net CO2 budget for different types of chemical reactions in the EBS (for validation see Attachment XVIII). These routines are implemented using Excel 97 and are equivalent except for the zone and time period of application. All of these routines are further described and validated in attachments to this report. These Excel 97 spreadsheet routines were run on a Dell Poweredge 2200 PC (Pentium Pro; Windows 95 4.00.950 B) located in Rm # 611 of Summerlin Facilities. 4. INPUTS 4.1 DATA AND PARAMETERS Data and parameters used in this section are derived for the specific use of this model if not otherwise indicated. These data and parameters are therefore appropriate for the intended purpose. 4.1.1 Thermal Hydrology Model Drift-scale, two-dimensional (2-D) TH calculations are reported here for the L4C4 and L4C1 locations. These model calculations are performed using the same approach developed for the Multiscale Thermal-Hydrologic Model (CRWMS M&O 2000f) with minor modifications. The Multiscale Model represents variation of TH conditions throughout the repository by 31 distributed locations. The TH calculations described in this report are limited to two of those, the L4C4 and L4C1 locations. The rationale for selecting the L4C4 and L4C1 locations for investigation of the in-drift physical and chemical environment, is as follows: . L4C4 is typical for locations internal to the repository layout. It is located near the geographic center, where temperatures and evaporation rates will be relatively high. Thermal loading for the L4C4 model is equivalent to the average for the repository ANL-EBS-MD-000033, REV 00 ICN 1 34 July 2000 layout (corresponds to areal spent-fuel mass loading of 60 MTU/acre required by management guidance; Wilkins and Heath 1999). The projected infiltration flux is near the average for the layout, as discussed subsequently. . L4C1 is located at the repository edge, where the rate of cooling will be greatest because of conductive heat loss to unheated external regions. 36 MTU/acre thermal loading is used for the L4C1 model, which is appropriate for edge locations subject to cooling effects. For each of these locations, TH conditions are simulated, using the “lower” and “upper” infiltration distributions described in the Multiscale Model (CRWMS M&O 2000f), for different flux conditions. Note that the data used to describe the “lower” and “upper” infiltration distributions were obtained from the same sources used for the Multiscale Model, and not directly from the Multiscale Model. Different hydrologic property sets are associated with the different infiltration conditions. Separate but linked NUFT V3.0s runs are used to initialize the models and to represent preclosure and postclosure conditions. The initialization model calculates equilibrium saturation and temperature conditions for the stratigraphic column with the imposed boundary conditions, but without a drift opening. The preclosure model uses the calculated equilibrium as initial data, adds the drift opening without backfill, and adds heating. The postclosure model uses the final preclosure saturation and temperature fields as initial data, adds backfill, and increases heating to account for the cessation of ventilation. This necessitates separate NUFT V3.0s input and output files. Restart files (*.res) are used to store the TH conditions from the initialization and preclosure models, for use as initial conditions in the preclosure and postclosure models, respectively. Restart files are only used internally to NUFT calculations but are saved with the other input and output files (Attachment I). In summary, as listed in Table 3, twelve NUFT V3.0s models are required to calculate the four TH cases included in this report. For calculated postclosure results, there also are separate output files for fracture and matrix data. Further discussion of the NUFT V3.0s inputs for these models is provided in the following subsections. 4.1.1.1 Hydrostratigraphic Unit Thicknesses, Contact Elevations, and Extents The 31 model locations selected for the Multiscale Model were developed using an algorithm (COVER V1.1) to represent the repository layout as a contiguous array of blocks having uniform geometry. The center of each block is the nominal location. Coordinates for the repository outline provided as input to COVER were transmitted by subsurface design (CRWMS M&O 2000a) (TBV-3902). The UZ model unit thicknesses, contact elevations, and lateral extents are honored in these calculations. Integration with the UZ model was accomplished using YMESH V1.53 to read mesh and grid files from the UZ model (Figure 1 and Table 2). Input data from the UZ model were received from CRWMS M&O (1999d) (TBV-3901). The results from this operation consisted of a file (L4C*.col.units) containing contact elevations for each of the 31 model ANL-EBS-MD-000033, REV 00 ICN 1 35 July 2000 locations. This information was manually incorporated into the NUFT V3.0s input files (L4C*.in). In summary, for the calculations described in the TH portion of this report, the results from the operations described previously consist of stratigraphic columns for the L4C4 and L4C1 locations and additional information, as discussed in the following subsections. Note that some stratigraphic units at the site are discontinuous over the repository area because of geologic variation. These results are essentially the same as results obtained for the Multiscale Model, but were developed independently, using the same input data. 4.1.1.2 Hydrostratigraphic Unit Properties The hydrologic properties used in the TH portion of this report are fully consistent with the one-dimensional (1-D), drift-scale property sets from the UZ model. The property values for units in the L4C4 and L4C1 columns are exactly those given for these units by the following: . DTN LB990861233129.002 (1-D, drift-scale, “upper” infiltration) . DTN LB990861233129.003 (1-D, drift-scale, “lower” infiltration) These property sets include porosity, saturated permeability, and parameters for water potential vs. liquid-phase saturation and relative permeability vs. saturation relationships, based on the analytical expressions developed by van Genuchten (1980) and Mualem (1976). Each property set contains similar descriptions for the rock matrix and for the fracture network for each hydrostratigraphic unit (Tables 4 and 5). The fracture network is assumed to behave as a continuous porous medium in these calculations, and the continuum properties are assumed to be homogeneous within each hydrostratigraphic unit (Assumption 5.1.3). The property sets listed previously also include values for parameters that describe nonequilibrium fracture–matrix interaction using the AFC, which are input directly to NUFT V3.0s. These parameters include fracture spacings and the g-parameter for each unit (Table 5). ANL-EBS-MD-000033, REV 00 ICN 1 36 July 2000 Table 4. Matrix Hydrologic Properties for Hydrostratigraphic Units, Used in TH Model Matrix Parameters Permeability Porosity van Genuchten van Genuchten Residual Saturation Satiated Saturation Model Layer km (m2) fm am (1/Pa) mm Slrm Slsm “Upper” Infiltration Distribution (DTN: LB997141233129.002) tcw11 3.98E-15 0.253 4.27E-5 0.484 0.07 1.00 tcw12 3.26E-19 0.082 2.18E-5 0.229 0.19 1.00 tcw13 1.63E-16 0.203 2.17E-6 0.416 0.31 1.00 ptn21 1.26E-13 0.387 1.84E-4 0.199 0.23 1.00 ptn22 5.98E-12 0.439 2.42E-5 0.473 0.16 1.00 ptn23 3.43E-13 0.254 4.06E-6 0.407 0.08 1.00 ptn24 3.93E-13 0.411 5.27E-5 0.271 0.14 1.00 ptn25 1.85E-13 0.499 2.95E-5 0.378 0.06 1.00 ptn26 6.39E-13 0.492 3.54E-4 0.265 0.05 1.00 tsw31 9.25E-17 0.053 7.79E-5 0.299 0.22 1.00 tsw32 5.11E-16 0.157 4.90E-5 0.304 0.07 1.00 tsw33 1.24E-17 0.154 1.97E-5 0.272 0.12 1.00 tsw34 7.94E-19 0.110 3.32E-6 0.324 0.19 1.00 tsw35 1.42E-17 0.131 7.64E-6 0.209 0.12 1.00 tsw36 1.34E-18 0.112 3.37E-6 0.383 0.18 1.00 tsw37 7.04E-19 0.094 2.70E-6 0.447 0.25 1.00 tsw38 4.47E-18 0.037 5.56E-7 0.314 0.44 1.00 tsw39 3.12E-17 0.173 1.82E-5 0.377 0.29 1.00 ch1z 8.46E-20 0.288 4.23E-7 0.336 0.33 1.00 ch1v 4.36E-14 0.273 4.23E-5 0.363 0.03 1.00 ch2v 3.89E-13 0.345 4.86E-5 0.312 0.07 1.00 ch3v 3.89E-13 0.345 4.86E-5 0.312 0.07 1.00 ch4v 3.89E-13 0.345 4.86E-5 0.312 0.07 1.00 ch5v 3.89E-13 0.345 4.86E-5 0.312 0.07 1.00 ch2z 1.16E-17 0.331 1.13E-6 0.229 0.28 1.00 ch3z 1.16E-17 0.331 1.13E-6 0.229 0.28 1.00 ch4z 1.16E-17 0.331 1.13E-6 0.229 0.28 1.00 ch5z 1.16E-17 0.331 1.13E-6 0.229 0.28 1.00 ch6 3.32E-20 0.266 3.57E-7 0.502 0.37 1.00 pp4 2.00E-18 0.325 1.83E-7 0.683 0.28 1.00 pp3 1.47E-14 0.303 1.02E-5 0.395 0.10 1.00 pp2 1.05E-16 0.263 2.43E-6 0.367 0.18 1.00 pp1 5.49E-17 0.280 1.01E-6 0.393 0.30 1.00 bf3 2.98E-14 0.115 3.83E-6 0.490 0.11 1.00 bf2 3.86E-17 0.259 2.29E-7 0.582 0.18 1.00 “Lower” Infiltration Distribution (DTN: LB997141233129.003) tcw11 4.63E-15 0.253 1.61E-5 0.460 0.07 1.00 tcw12 8.87E-20 0.082 2.89E-5 0.241 0.19 1.00 tcw13 6.61E-17 0.203 1.42E-6 0.368 0.31 1.00 ptn21 1.86E-13 0.387 6.13E-5 0.165 0.23 1.00 ptn22 3.27E-12 0.439 1.51E-5 0.390 0.16 1.00 ptn23 4.20E-13 0.254 2.04E-6 0.387 0.08 1.00 ptn24 3.94E-13 0.411 2.32E-5 0.210 0.14 1.00 ptn25 2.22E-13 0.499 2.04E-5 0.296 0.06 1.00 ptn26 5.43E-13 0.492 1.82E-4 0.264 0.05 1.00 tsw31 6.38E-17 0.053 2.81E-5 0.317 0.22 1.00 tsw32 6.28E-16 0.157 6.35E-5 0.279 0.07 1.00 tsw33 1.82E-17 0.154 2.44E-5 0.248 0.12 1.00 ANL-EBS-MD-000033, REV 00 ICN 1 37 July 2000 Matrix Parameters Permeability Porosity van Genuchten van Genuchten Residual Saturation Satiated Saturation Model Layer km (m2) fm am (1/Pa) mm Slrm Slsm tsw34 3.50E-19 0.110 3.54E-6 0.309 0.19 1.00 tsw35 1.27E-17 0.131 7.57E-6 0.187 0.12 1.00 tsw36 1.19E-18 0.112 3.74E-6 0.328 0.18 1.00 tsw37 5.63E-19 0.094 3.28E-6 0.423 0.25 1.00 tsw38 1.44E-18 0.037 3.72E-6 0.291 0.44 1.00 tsw39 1.09E-17 0.173 2.37E-5 0.321 0.29 1.00 ch1z 2.75E-20 0.288 7.26E-7 0.304 0.33 1.00 ch1v 2.05E-14 0.273 9.86E-6 0.402 0.03 1.00 ch2v 3.17E-13 0.345 1.91E-5 0.326 0.07 1.00 ch3v 3.17E-13 0.345 1.91E-5 0.326 0.07 1.00 ch4v 3.17E-13 0.345 1.91E-5 0.326 0.07 1.00 ch5v 3.17E-13 0.345 1.91E-5 0.326 0.07 1.00 ch2z 6.28E-18 0.331 2.44E-6 0.135 0.28 1.00 ch3z 6.28E-18 0.331 2.44E-6 0.135 0.28 1.00 ch4z 6.28E-18 0.331 2.44E-6 0.135 0.28 1.00 ch5z 6.28E-18 0.331 2.44E-6 0.135 0.28 1.00 ch6 8.20E-20 0.266 5.06E-7 0.445 0.37 1.00 pp4 2.05E-18 0.325 1.83E-7 0.653 0.28 1.00 pp3 1.91E-14 0.303 1.53E-5 0.355 0.10 1.00 pp2 1.08E-16 0.263 2.08E-6 0.399 0.18 1.00 pp1 6.52E-17 0.280 9.40E-7 0.392 0.30 1.00 bf3 9.47E-15 0.115 3.75E-6 0.509 0.11 1.00 bf2 1.27E-17 0.259 1.38E-7 0.568 0.18 1.00 NOTES: Values in bold type are constrained by hydrologic calibration process. ANL-EBS-MD-000033, REV 00 ICN 1 38 July 2000 Table 5. Fracture Hydrologic Properties for Hydrostratigraphic Units, Used in TH Model Fracture Parameters Permeability Porosity van Genuchten van Genuchten Residual Saturation Satiated Saturation Active Fracture Parameter Frequency Fracture to Matrix Connection Area kf (m2) ff (-) af (1/Pa) mf (-) Slrf (-) Slsf (-) g (-) f (1/m) A (m2/m3) “Upper” Infiltration Distribution (DTN: LB997141233129.002) tcw11 2.75E-12 3.7E-2 4.67E-3 0.636 0.01 1.00 0.31 0.92 1.56 tcw12 1.00E-10 2.6E-2 2.18E-3 0.633 0.01 1.00 0.31 1.91 13.39 tcw13 2.26E-12 1.9E-2 1.71E-3 0.631 0.01 1.00 0.31 2.79 3.77 ptn21 1.00E-11 1.4E-2 2.38E-3 0.611 0.01 1.00 0.08 0.67 1.00 ptn22 1.00E-11 1.5E-2 1.26E-3 0.665 0.01 1.00 0.08 0.46 1.41 ptn23 1.96E-13 3.2E-3 1.25E-3 0.627 0.01 1.00 0.08 0.57 1.75 ptn24 4.38E-13 1.5E-2 2.25E-3 0.631 0.01 1.00 0.08 0.46 0.34 ptn25 6.14E-13 7.9E-3 1.00E-3 0.637 0.01 1.00 0.08 0.52 1.09 ptn26 3.48E-13 4.6E-3 3.98E-4 0.367 0.01 1.00 0.08 0.97 3.56 tsw31 2.55E-11 7.1E-3 1.78E-4 0.577 0.01 1.00 0.09 2.17 3.86 tsw32 2.83E-11 1.2E-2 1.32E-3 0.631 0.01 1.00 0.38 1.12 3.21 tsw33 3.07E-11 8.5E-3 1.50E-3 0.631 0.01 1.00 0.38 0.81 4.44 tsw34 1.35E-11 1.0E-2 4.05E-4 0.579 0.01 1.00 0.38 4.32 13.54 tsw35 3.58E-11 1.5E-2 9.43E-4 0.627 0.01 1.00 0.38 3.16 9.68 tsw36 5.57E-11 2.0E-2 8.21E-4 0.623 0.01 1.00 0.38 4.02 12.31 tsw37 5.57E-11 2.0E-2 8.21E-4 0.623 0.01 1.00 0.38 4.02 12.31 tsw38 4.06E-13 1.6E-2 7.69E-4 0.622 0.01 1.00 0.38 4.36 13.34 tsw39 5.89E-13 5.9E-3 1.30E-3 0.633 0.01 1.00 0.38 0.96 2.95 ch1z 5.70E-13 2.2E-4 1.29E-3 0.631 0.01 1.00 0.10 0.04 0.11 ch1v 7.90E-13 8.8E-4 1.66E-3 0.656 0.01 1.00 0.10 0.10 0.30 ch2v 4.64E-13 1.1E-3 1.45E-3 0.626 0.01 1.00 0.10 0.14 0.43 ch3v 4.64E-13 1.1E-3 1.45E-3 0.626 0.01 1.00 0.10 0.14 0.43 ch4v 4.64E-13 1.1E-3 1.45E-3 0.626 0.01 1.00 0.10 0.14 0.43 ch5v 4.64E-13 1.1E-3 1.45E-3 0.626 0.01 1.00 0.10 0.14 0.43 ch2z 2.64E-14 5.5E-4 8.45E-4 0.628 0.01 1.00 0.10 0.14 0.43 ch3z 2.64E-14 5.5E-4 8.45E-4 0.628 0.01 1.00 0.10 0.14 0.43 ch4z 2.64E-14 5.5E-4 8.45E-4 0.628 0.01 1.00 0.10 0.14 0.43 ch5z 2.64E-14 5.5E-4 8.45E-4 0.628 0.01 1.00 0.10 0.14 0.43 ch6 2.21E-14 2.2E-4 1.31E-3 0.631 0.01 1.00 0.10 0.04 0.11 pp4 1.07E-13 5.5E-4 7.99E-4 0.633 0.01 1.00 0.10 0.14 0.43 pp3 7.10E-12 1.4E-3 1.29E-3 0.749 0.01 1.00 0.56 0.20 0.61 pp2 2.53E-13 1.4E-3 1.65E-3 0.629 0.01 1.00 0.56 0.20 0.61 pp1 6.25E-13 5.5E-4 8.18E-4 0.630 0.01 1.00 0.10 0.14 0.43 bf3 1.43E-12 1.4E-3 1.50E-3 0.636 0.01 1.00 0.56 0.20 0.61 bf2 2.26E-14 5.5E-4 8.18E-4 0.631 0.01 1.00 0.10 0.14 0.43 “Lower” Infiltration Distribution (DTN: LB997141233129.003) tcw11 2.70E-12 3.7E-2 2.40E-3 0.598 0.01 1.00 0.25 0.92 1.56 tcw12 1.00E-10 2.6E-2 2.05E-3 0.608 0.01 1.00 0.25 1.91 13.39 tcw13 1.79E-12 1.9E-2 9.21E-4 0.600 0.01 1.00 0.25 2.79 3.77 ptn21 1.00E-11 1.4E-2 1.66E-3 0.503 0.01 1.00 0.01 0.67 1.00 ptn22 1.00E-11 1.5E-2 9.39E-4 0.651 0.01 1.00 0.01 0.46 1.41 ptn23 1.84E-13 3.2E-3 1.28E-3 0.518 0.01 1.00 0.01 0.57 1.75 ptn24 4.31E-13 1.5E-2 2.02E-3 0.594 0.01 1.00 0.01 0.46 0.34 ptn25 7.12E-13 7.9E-3 7.42E-4 0.555 0.01 1.00 0.01 0.52 1.09 ptn26 3.08E-13 4.6E-3 2.00E-4 0.401 0.01 1.00 0.01 0.97 3.56 tsw31 2.55E-11 7.1E-3 4.42E-4 0.545 0.01 1.00 0.06 2.17 3.86 ANL-EBS-MD-000033, REV 00 ICN 1 39 July 2000 Fracture Parameters Permeability Porosity van Genuchten van Genuchten Residual Saturation Satiated Saturation Active Fracture Parameter Frequency Fracture to Matrix Connection Area kf (m2) ff (-) af (1/Pa) mf (-) Slrf (-) Slsf (-) g (-) f (1/m) A (m2/m3) tsw32 2.83E-11 1.2E-2 1.21E-3 0.603 0.01 1.00 0.23 1.12 3.21 tsw33 3.07E-11 8.5E-3 1.36E-3 0.600 0.01 1.00 0.23 0.81 4.44 tsw34 1.35E-11 1.0E-2 2.48E-4 0.515 0.01 1.00 0.23 4.32 13.54 tsw35 3.58E-11 1.5E-2 6.26E-4 0.612 0.01 1.00 0.23 3.16 9.68 tsw36 5.57E-11 2.0E-2 4.90E-4 0.540 0.01 1.00 0.23 4.02 12.31 tsw37 5.57E-11 2.0E-2 4.90E-4 0.540 0.01 1.00 0.23 4.02 12.31 tsw38 5.65E-13 1.6E-2 4.00E-4 0.603 0.01 1.00 0.23 4.36 13.34 tsw39 3.12E-13 5.9E-3 6.43E-4 0.605 0.01 1.00 0.23 0.96 2.95 ch1z 1.87E-13 2.2E-4 1.00E-3 0.611 0.01 1.00 0.12 0.04 0.11 ch1v 9.03E-13 8.8E-4 1.43E-3 0.658 0.01 1.00 0.12 0.10 0.30 ch2v 1.94E-13 1.1E-3 6.84E-4 0.544 0.01 1.00 0.12 0.14 0.43 ch3v 1.94E-13 1.1E-3 6.84E-4 0.544 0.01 1.00 0.12 0.14 0.43 ch4v 1.94E-13 1.1E-3 6.84E-4 0.544 0.01 1.00 0.12 0.14 0.43 ch5v 1.94E-13 1.1E-3 6.84E-4 0.544 0.01 1.00 0.12 0.14 0.43 ch2z 4.10E-14 5.5E-4 2.08E-4 0.613 0.01 1.00 0.12 0.14 0.43 ch3z 4.10E-14 5.5E-4 2.08E-4 0.613 0.01 1.00 0.12 0.14 0.43 ch4z 4.10E-14 5.5E-4 2.08E-4 0.613 0.01 1.00 0.12 0.14 0.43 ch5z 4.10E-14 5.5E-4 2.08E-4 0.613 0.01 1.00 0.12 0.14 0.43 ch6 1.12E-14 2.2E-4 6.10E-4 0.604 0.01 1.00 0.12 0.04 0.11 pp4 3.40E-14 5.5E-4 4.86E-4 0.635 0.01 1.00 0.12 0.14 0.43 pp3 2.23E-12 1.4E-3 5.93E-4 0.699 0.01 1.00 0.43 0.20 0.61 pp2 1.42E-13 1.4E-3 7.62E-4 0.608 0.01 1.00 0.43 0.20 0.61 pp1 7.15E-14 5.5E-4 3.90E-4 0.638 0.01 1.00 0.12 0.14 0.43 bf3 3.43E-13 1.4E-3 7.60E-4 0.611 0.01 1.00 0.43 0.20 0.61 bf2 9.21E-15 5.5E-4 4.18E-4 0.598 0.01 1.00 0.12 0.14 0.43 NOTES: Values in bold type are constrained by hydrologic calibration process. ANL-EBS-MD-000033, REV 00 ICN 1 40 July 2000 4.1.1.3 Net Infiltration Boundary Conditions Software routine CONVERTCOORDS V1.1 is used to convert infiltration grid files obtained from the U.S. Geological Survey (USGS) (LB99EBS1233129.004) from UTM to NSPC (metric), while reformatting the file from matrix to column format. Infiltration values at selected model locations are then interpolated using software routine COLUMNINFILTRATION V1.1. In the climate model represented by these files, the monsoonal values are assigned to begin at 600 yr after waste emplacement, and the glacial values are assigned to begin at 2000 yr (LB99EBS1233129.004). The resulting infiltration values for the model locations are shown in Table 6. Table 6. Infiltration Values for Model Locations Location Infiltration Distribution Present-Day (mm/yr) Monsoonal (mm/yr) Glacial (mm/yr) l4c4 “lower” 0.00 10.13 1.99 “upper” 24.29 47.61 82.01 l4c1 “lower” 0.18 4.80 3.32 “upper” 10.98 19.40 34.44 NOTE: Source: Spreadsheet “infiltration.xls” (Attachment I) These values are included in the NUFT V3.0s input file (*.in). The infiltration flux values for the 31 locations in the multiscale TH Model, produced in the manner described previously, are compiled in the spreadsheet “infiltration.xls” (Attachment I). For comparison purposes, the average flux values for all 31 locations are shown in Table 7. Table 7. Average Flux Values for Model Locations Location Infiltration Distribution Present-Day (mm/yr) Monsoonal (mm/yr) Glacial (mm/yr) Average “lower” 0.56 5.98 2.99 (31 locations) “upper” 14.56 26.17 46.73 NOTE: Source: Spreadsheet “infiltration.xls” (Attachment I) 4.1.1.4 Temperature and Total Pressure Boundary Conditions For the 2-D models used in these calculations, the model domain extends from the ground surface to the water table, and temperature and total pressure conditions are specified at each boundary. This information is required for both the L4C1 and the L4C4 locations. The values were obtained directly from the UZ model files (“bcs_99.dat” and “tspa99_primary_mesh”; LB99EBS1233129.001), which are read directly into the CHIM_SURF_TP V1.1 software routine. Inverse-squared distance weighting is used to interpolate the UZ model information at the required L4C1 and L4C4 locations. ANL-EBS-MD-000033, REV 00 ICN 1 41 July 2000 Table 8. Temperature and Total Pressure Boundary Conditions Ground Surface Water Table Model Location Temperature (°C) Pressure (Pa) Temperature (°C) Pressure (Pa) L4C1 16.994 85,587 32.360 92,000 L4C4 15.910 84,511 32.544 92,000 NOTE: Source: Software routine CHIM_SURF_TP V1.1 and CRWMS M&O (2000f) The temperature and total pressure boundary conditions used in this report are shown in Table 8. Air Mass-Fraction Boundary Conditions The air mass-fraction at the ground surface is calculated from the temperature and total pressure such that the relative humidity is 100 percent. This prevents water from diffusing upward through the ground surface when NUFT V3.0s calculates initial, steady conditions prior to the application of heat. The air mass-fraction is calculated from v b v p p p 622 . 0 W - = (Eq. 1) where W = specific humidity, weight of water per unit weight of dry air pv = partial pressure of water vapor pb = barometric pressure At the water table, the air mass-fraction is assigned a small value (comparable to the solubility of air-constituent gases in water). The air mass-fraction boundary condition values used in this report are shown in Table 9. Table 9. Air Mass-Fraction Boundary Conditions Model Location Ground Surface Air Mass-Fraction Water Table Air Mass-Fraction L4C1 0.98584 1.0 ´ 10–6 L4C4 0.98660 1.0 ´ 10–6 NOTE: Source: Equation 1, using barometric pressure Vapor pressures are obtained for the ground surface temperatures indicated in Table 8, using a vapor pressure table (Weast and Astle 1981, p. D-168). ANL-EBS-MD-000033, REV 00 ICN 1 42 July 2000 4.1.1.5 Thermal Properties for Natural Barrier Materials The thermal properties used by NUFT V3.0s are dry thermal conductivity (zero liquid saturation), wet thermal conductivity (100 percent water saturation), specific heat, and grain density. The values used for these calculations are shown in Table 10. For partial saturation, the NUFT V3.0s code is instructed in the input file (L4C*.in) to linearly interpolate between dry and wet values, based on liquid saturation. Linear interpolation is appropriate because only two constraint data points (dry and wet) are available. Notice that the data are not used directly in producing a technical output that provides estimates for any of the principal factors or potentially diruptive process events. 4.1.1.6 Thermal and Hydrologic Properties for EBS Materials The EBS backfill and invert materials are designated as quartz sand (Overton Sand) and crushed tuff, respectively. These materials are unfractured but are represented in the DKM by splitting the total property value between the fracture and matrix continua. For example, half the backfill porosity is assigned to the matrix continuum, and half is assigned to the fracture continuum. Density, specific heat, thermal conductivity, permeability, and other hydrologic properties are assigned the same way. The AFC is not used for EBS material properties. The nominal property values (not split between continua) used for EBS materials are shown in Table 11. 4.1.1.7 Component Properties Vapor-pressure lowering is active for these calculations. This feature of the NUFT V3.0s code simulates the interaction between capillary water potential and the vapor pressure governing water mass transfer between the liquid and gas phases. The vapor pressure is lowered by an amount determined from the capillary pressure using the Kelvin Equation (Atkins 1990, Equation 13b, p. 148). The capillary radius for this calculation is computed from the capillary pressure (Atkins 1990, Equation 12, p. 148). This increases the boiling temperature for partially saturated capillary media, which is the point at which vapor pressure equals the total pressure. The components air and water are distributed in the gas and liquid phases. The physical properties of each component in each phase are given in a NUFT V3.0s input file (“vtough.pkg” in Attachment I). These properties include some assumed values (Assumption 5.1.4). 4.1.1.8 Thermal Loading and Aging of Waste Inventory The thermal output of the waste decays with time, and this decay information is incorporated in a NUFT V3.0s input file (LDTH-SDT-0.3Qheat-50y_vent-00, Attachment I). For these calculations, the waste packages are represented as a line-averaged heat source oriented perpendicular to the plane of the vertical, 2-D model domain. The line source strength decays with time in a manner that represents radioactive decay of spent fuel and defense high-level waste. A composite of different waste package types is used (DTN SN9907T0872799.001; file: “heatTSPA-SR-99184-Ta.xls”; column F) (TBV-3599). The line source strength is modified for the heat-removal effect of ventilation in the preclosure period. The referenced data (DTN SN9907T0872799.001) (TBV-3599) are calculated assuming that, during the 50-yr preclosure period, the preclosure ventilation will remove 50 percent of the ANL-EBS-MD-000033, REV 00 ICN 1 43 July 2000 thermal output. For these calculations, 70 percent heat removal was used in accordance with management guidance (CRWMS M&O 2000c). Accordingly, the referenced data are corrected by multiplying the line-source strength values by the ratio 0.3/0.5 from time zero until 50 yr. Table 10. Thermal Properties for Hydrostratigraphic Units Model Layer Rock Grain Density (kg/m3) Rock Grain Specific Heat (J/kg–K) Dry Conductivity (W/m–K) Wet Conductivity (W/m–K) tcw11 2550 823 1.60 2.00 tcw12 2510 851 1.24 1.81 tcw13 2470 857 0.54 0.98 ptn21 2380 1040 0.50 1.07 ptn22 2340 1080 0.35 0.50 ptn23 2400 849 0.44 0.97 ptn24 2370 1020 0.46 1.02 ptn25 2260 1330 0.35 0.82 ptn26 2370 1220 0.23 0.67 tsw31 2510 834 0.37 1.00 tsw32 2550 866 1.06 1.62 tsw33 2510 882 0.79 1.68 tsw34 2530 948 1.56 2.33 tsw35 2540 900 1.20 2.02 tsw36 2560 865 1.42 1.84 tsw37 2560 865 1.42 1.84 tsw38 2360 984 1.69 2.08 tsw39 2360 984 1.69 2.08 ch1z 2310 1060 0.70 1.31 ch1v 2310 1060 0.70 1.31 ch2v 2240 1200 0.58 1.17 ch3v 2240 1200 0.58 1.17 ch4v 2240 1200 0.58 1.17 ch5v 2240 1200 0.58 1.17 ch2z 2350 1150 0.61 1.20 ch3z 2350 1150 0.61 1.20 ch4z 2350 1150 0.61 1.20 ch5z 2350 1150 0.61 1.20 ch6 2440 1170 0.73 1.35 pp4 2410 577 0.62 1.21 pp3 2580 841 0.66 1.26 pp2 2580 841 0.66 1.26 pp1 2470 635 0.72 1.33 bf3 2570 763 1.41 1.83 bf2 2410 633 0.74 1.36 DTN: LB990861233129.001 ANL-EBS-MD-000033, REV 00 ICN 1 44 July 2000 Table 11. Nominal Property Values Used for Engineered Barrier System Materials Property Units Backfill Value Invert Value Permeability m2 1.43E–11 6.15E–10 Porosity none 0.41 0.545 van Genuchten a Pa–1 2.7523E–4 1.2232E–3 van Genuchten b none 2.00 2.70 Residual Saturation none 0.024 0.092 Grain Density kg/m3 2700 2530 Grain Specific Heat J/kg–K 795.492 948 Thermal Conductivity W/m–K 0.33 0.66 DTN SN9908T0872799.004; file: “indriftgeom_rev01.doc” (TBV-3471) 4.1.1.9 Geometry of the Drift and Drip Shield and Waste Package Geometric data consistent with management guidance (Wilkins and Heath 1999) were compiled for use in TH models (DTN SN9908T0872799.004; file: “indriftgeom_rev01.doc”) (TBV-3471). The drift diameter is 5.5 m. For this report, the waste package, drip shield, and pedestal supporting the waste package are combined into a single body with outside dimensions representing those of the drip shield. The rectilinear NUFT V3.0s grid is designed with spacings so that this composite body as well as the drift, invert, and backfill are represented. The crosssectional areas of each component (drift, invert, backfill, waste package/drip shield) in the grid are approximately the same as specified (DTN SN9908T0872799.004) (TBV-3471). 4.1.1.10 Properties of the Waste Package The waste package is modeled as a uniform solid body, with thermal conductivity and heat capacity scaled to represent the response of the composite body. The waste package is assigned a thermal conductivity of 14.42 W/m–K, specific heat of 488.86 J/kg–K, and density of 8189.2 kg/m3 (DTN SN9908T0872799.004; file: “indriftgeom_rev01.doc”) (TBV-3471). These values are based on area-averaging using prescribed geometry and materials (Wilkins and Heath 1999) for the waste package and drip shield. Treatment of the drip shield, waste package, and waste package supports as a composite body, is consistent with the objectives of this model, which include investigation of the bulk environment but not the fine-scale variability of conditions in the spaces enclosed by the drip shield. In addition, the temperature in the bulk environment during the thermal period will be determined by the processes that convey heat away from the drifts, but not by heat transfer within the spaces enclosed by the drip shields. The space between the drip shield and waste package remains warmer, and therefore drier, than the bulk environment during cooldown, so aqueous processes will take place primarily outside the drip shield for these conditions. Finally, the storage of sensible heat by the waste package and drip shield will not be significant to the bulk environment, because temperature changes will occur very slowly. Accordingly, the calculated results are insensitive to the value of specific heat, used to represent the composite body. ANL-EBS-MD-000033, REV 00 ICN 1 45 July 2000 4.1.1.11 Model Gridding and Numerical Control Parameters NUFT V3.0s input files (vtough.pkg; run_control_param_LDTH-v00; L4C*.in in Attachment I) specify control parameters such as numerical-convergence tolerances, time-step control, and parameters for controlling implementation of the nonlinear relations among saturation, relative permeability, and potential. When NUFT V3.0s is qualified, the values used can be evaluated against the ranges specified in the verification and validation documentation. 4.1.2 Gas Flux and Fugacity Model 4.1.2.1 CO2 and 14C Data from SD-12 and Other Surface-Based Boreholes Total gas-phase CO2 concentration data from several surface-based boreholes, in the form of averages computed from the reported data values, are shown in Table 12. This table includes all the qualified measurements of this type for the welded host rock. The data in Table 12 are used to support the average value of 1000 ppm for the concentration of CO2 in the UZ gas phase, which is used in this report. Gas-phase 14CO2 activity data from several surface-based boreholes, in the form of averages computed from the reported data values, are shown in Table 13. Also tabulated is 14C activity of dissolved inorganic carbon from porewater extracted from several core samples acquired from within the depth extent of the Topopah Spring welded tuff. This table includes all the qualified measurements of this type for the welded host rock. The individual data that were used to generate the averages in Table 13 are plotted against depth and used to support the gas-phase CO2 advective-dispersive transport model in this report. Notice that the data in Tables 12 and 13 are not used directly in producing a technical output that provides estimates for any of the principal factors or potentially diruptive process events. 4.1.2.2 Additional Input Data Used to Analyze CO2 Transport at Borehole SD-12 In addition to the CO2 and 14C activity data for SD-12 cited in Table 12 and Table 13, additional input data consist of the following: . Composition (i.e., bicarbonate concentration) of porewater samples extracted from samples of SD-12 drill core: DTNs GS970908312271.003 (TBV-3588), GS961108312271.002 (TBV-3610), and ESF drill core: MO0005PORWATER.000. . Hydrostratigraphic unit definitions and properties (fracture and matrix porosities): LB990861233129.001 . Stratigraphic contact elevations for stratigraphic units in borehole SD-12: DTN MO9811MWDGFM03.000, file “pix98usgs.xls” (TBV-3073). . Correlation between stratigraphic units and hydrostratigraphic units: based on TSPA-VA stratigraphy (Bodvarsson et al. 1997, Table 3.4-1) interpreted for this model at the location of borehole SD-12, and including newly defined hydrostratigraphic units TSw37, TSw38, and TSw39. ANL-EBS-MD-000033, REV 00 ICN 1 46 July 2000 . Matrix saturation for hydrostratigraphic units intercepted by borehole SD-12, estimated from the information of matrix saturation (Bodvarrson et al. 1997, Figure 6.4.10) Notice that the data are not used directly in producing a technical output that provides estimates for any of the principal factors or potentially diruptive process events. The information used from the preceding sources is reproduced directly in the spreadsheet (both worksheets of the file “gasC14-SD-12-1996data.xls”). Table 12. Gas-Phase CO2 Concentration Data for the Host-Rock Units, from Analysis of Gas Samples Obtained in Surface-Based Boreholes Borehole (Year Data Collection Finished) Sampled Depth Range (ft) Topopah Spring Welded Tuff Depth Range (ft) A Average CO2 (ppm) B Number of Samples DTN NRG-6 (1994) 490–1215 465–TD C 1080 22 GS941208312261.008 NRG-7 (1994) 600–1215 518–1415 1000 20 GS941208312261.008 UZ-6 (1994) 1225 610–1333 2500 3 GS940708312261.005 UZ-6 (1995) 800–1195 610–1333 701 1181 D 34 20 GS950808312261.004 The following line is provided as unqualified, corroborative data only. UZ-1 (1985) 501–1207 470–TD C 200 19 GS930508312271.021 NOTES: A Stratigraphic picks obtained from DTN MO9811MWDGFM03.000, file: “pix98usgs.xls” (TBV-073) B Average of reported data in the specified Topopah Spring welded tuff depth range C Total depth D Calculated in the same manner except excluding nondetects and measurements less than 0.005 percent or 50 ppm CO2 ANL-EBS-MD-000033, REV 00 ICN 1 47 July 2000 Table 13. Gas-Phase and Porewater 14CO2 Isotopic Data for the Host-Rock Units, from Analysis of Gas Samples and Preserved Rock-Core Samples Obtained from Surface-Based Boreholes Surface-Based Borehole Gas Samples Borehole (Year Data Collection Finished) Sampled Depth Range (ft) Topopah Spring Welded Tuff Depth Range (ft) A Average 14C (pmc) B Number of Samples DTN NRG-5 (1996) 572–799 565–TD C 59.0 4 GS970283122410.002 NRG-5 (1996) 1225 565–TD C 93.1 1 GS941208312261.008 NRG-6 (1994) 600–925 465–TD C 88.7 2 GS941208312261.008 NRG-7 (1994) 890 518–1415 111.0 D 1 GS941208312261.008 SD-12 (1996) 561–1265 470–1278 45.5 8 GS961108312271.002 (TBV-3610) SD-7 (1996) 339–1558.5 248–1090 62.8 11 GS970283122410.002 UZ-6 (1995) 800–1195 610–1333 84.4 4 GS960208312261.002 The following line is provided as unqualified, corroborative data only. UZ-1 (1985) 501–1207 470–TD c 65.3 7 GS930508312271.021 Surface-Based Borehole Extracted Porewater Samples SD-12 (1996) 693.5 470–1278 60.2 1 GS970908312271.003 (TBV-3588) SD-7 (1996) 339.0 248–1090 74.1 3 GS961108312271.002 (TBV-3610) NOTES: A Stratigraphic picks obtained from DTN MO9811MWDGFM03.000, file “pix98usgs.xls” (TBV-073) B Average of reported data in the specified Topopah Spring welded tuff depth range C Total depth D Values of pmc > 100% indicate influence from nuclear-age carbon 4.1.2.3 Infiltration Flux Three values of the infiltration flux are used to represent the range of conditions in the UZ hydrologic model. The values used for interpreting SD-12 data are averages over the repository layout for the lower, mean, and upper infiltration-flux distributions (LB99EBS1233129.004). The average values for all Multiscale Model locations, for present-day Yucca Mountain conditions are as follows: . Present-day average for “lower” distribution = 0.56 mm/yr . Present-day average for “mean” distribution = 5.98 mm/yr . Present-day average for “upper” distribution = 14.56 mm/yr These values were obtained from spreadsheet “infiltration.xls” (Attachment I) which is described—along with the data manipulation process used to derive the multi-scale model locations and flux values—in the TH Model sections of this report. ANL-EBS-MD-000033, REV 00 ICN 1 48 July 2000 4.1.3 Cementitious Materials Model 4.1.3.1 Thermodynamic Data The unqualified PHREEQC thermodynamic database file “wateq4f.dat” (CRWMS M&O 1999f, Attachment B) was modified by adding data for certain cement minerals, to form the database file “wateqcem.txt” used in these calculations (Attachment I). The additional thermodynamic data were obtained from the “com” database provided with the EQ3/6 modeling code (Wolery 1992a). The “com” database used for this purpose is contained in the file “data0.com” (Attachment I). Additional detail on how chemical data (dissociation equilibrium constant and enthalpy of formation) for ettringite and tobermorite were obtained from the “data0.com” file and modified for use in the “wateqcem.txt” file is provided below. Equilibrium Constant for Ettringite The dissociation reaction O H 38 SO 3 Al 2 Ca 6 H 12 O H 26 : ) OH ( ) SO ( Al Ca 2 2 4 3 2 2 12 3 4 2 6 + + + = + - + + + (Eq. 2) is the same in the EQ3/6 “com” database and is the same basis species used for the PHREEQC database; thus, the equilibrium constant value log K = 62.5362 is used without transformation. Enthalpy of Reaction for Ettringite Using the dissociation reaction (Equation 2), the enthalpy of reaction DHr for ettringite is found from the following: å D n = D i f, i r H H (Eq. 3) where ni = stoichiometric coefficients (positive for products, negative for reactants) DHf,i = enthalpies of formation for each species Using the DHf,i value for ettringite from the “data0.com” EQ3/6 database (Attachment I) and values for all other species from Robie, et al. (1979, pp. 12, 19, and 21) yields ANL-EBS-MD-000033, REV 00 ICN 1 49 July 2000 kcal/mol 19 . 87 ) 315 . 68 ( 32 ) 32 . 217 ( 3 ) 91 . 126 ( 2 ) 74 . 129 ( 6 000 . 4193 Hr - = - - - - = D (Eq. 4) Equilibrium Constant for Tobermorite-14Å The equilibrium constant for tobermorite is calculated using the relationship (Stumm and Morgan 1981, combining Equation 230 and Equation 234, page 58): å - m n = - = D reactants products 0 i i 0 K ln RT G (Eq. 5) where DG0 = standard free energy of reaction (kcal/mol) R = universal gas constant (8.312 Pa-m3/mol-K or J/mol-degrees K) T = absolute temperature (degrees K) m0 i = standard free energies of formation for each product and reactant The equilibrium coefficient for tobermorite at 298 K is calculated for the dissociation reaction O 3.5H SiO 6H 5Ca 10H O H Si Ca 2 4 4 2 27.5 21 6 5 + + = + + + (Eq. 6) A value of –2647.300 kcal/mol for the standard free energy of formation for tobermorite-14Å is obtained from the “data0.com” file for EQ3/6 (Attachment I). Values for the other species are obtained from Garrels and Christ (1965, pp. 408, 418, and 421) (TBV-4576). The resulting calculation yields kcal/mol 82 . 13 (0) 10 2647.300) ( 56.69) ( 5 . 3 300.3) ( 6 132.18) ( 5 G0 - = - - - - + - + - = D (Eq. 7) The corresponding ln K value is found for T = 298 K using Equation 5, converting joules to kcal (4.18´103 J/kcal), and converting to log10 (2.3026 log10 x = ln x) ANL-EBS-MD-000033, REV 00 ICN 1 50 July 2000 10.13 8) (8.312)(29 (2.3025) 103) (4.18 ) 82 . 13 ( = K ln 2.3026 1 = K log = ´ - - ÷ø ö çè æ (Eq. 8) which wis used in the PHREEQC simulations. Enthalpy of Reaction for Tobermorite-14Å Using dissociation reaction (Equation 6), the enthalpy of reaction DHr for tobermorite-14Å is found using Equation 2. Using the DHf,i value for tobermorite-14Å from the EQ3/6 database and values for all other species from Robie et al. (1978) yields kcal/mol 25 . 70 ) 315 . 68 ( 5 . 3 ) 95 . 348 ( 6 ) 74 . 129 ( 5 25 . 2911 Hr = - - - = D (Eq. 9) The PHREEQC dissociation constant values for solid species used in this model are compared to the SUPCRT database used with the EQ3/6 modeling code (Wolery 1992a) contained in file “data0.sup” (Attachment I). The comparison is shown in Table 14. Notice that the SUPCRT database is contained in the EQ3/6 code. ANL-EBS-MD-000033, REV 00 ICN 1 51 July 2000 Table 14. Comparison of Equilibrium Constants (log10 K values at 25°C) from the PHREEQC and EQ3/6 (data0.com, Attachment I) Databases for Solid Phases Considered in Modeling of Cementitious Materials Phase Reaction EQ3/6 A log K PHREEQC log K Anhydrite CaSO4(s) = Ca2+ + SO4 2– –4.3064 –4.36 Brucite Mg(OH)2(s) + 2H+ = Mg2+ + 2H2O 16.298 16.84 Calcite CaCO3(s) + H+ = Ca2+ + HCO3 – 1.8487 1.849 Chalcedony SiO2(s) = SiO2 –3.7281 –3.55 CO2(g) HCO3 – + H+ = H2O + CO2(g) 7.8136 7.820 Ettringite Ca6Al2(SO4)3(OH)12:26H2O(s) + 12H+ = 2Al3+ + 6Ca2+ + 3SO4 2– + 38H2O 62.5362 N/A Gypsum CaSO4:2H2O(s) = Ca2+ + SO4 2– + 2H2O –4.4823 –4.58 Portlandite Ca(OH)2(s) +2H+ = Ca2+ + 2H2O 22.5552 22.8 Quartz SiO2(s) = SiO2 –3.9993 –3.98 Amorphous silica SiO2(s) = SiO2 –2.7136 –2.71 Tobermorite-14Å Ca5Si6H21O27.5(s) + 10H+ = 5Ca2+ + 6SiO2(aq) + 15.5H2O B 63.8445 N/A NOTE: A EQ3/6 log K data are from the SUPCRT database (file: “data0.sup” in Attachment I) except for gypsum, ettringite, portlandite, and tobermorite, which are from the “com” database (file: “data0.com” in Attachment I). The PHREEQC database does not include log K values for ettringite and tobermorite; these were obtained from the “com” database. B This dissociation reaction differs from Eq. 6, because 12 equivalents of water are treated as free water, instead of being included in the silica term. The difference is appropriate because the basis species for silicon is H4SiO4 in the PHREEQC database, but SiO2 in the EQ3/6 base. The EQ3/6 database value for log K is reported in this table, but there is no corresponding value in the PHREEQC database (which is the reason for the derivation of thermodynamic properties in this section). 4.1.3.2 Type of Grout Type-K expansive cement will be used for rockbolt anchorage (CRWMS M&O 2000a) (TBV- 4587). The following additional mix parameters are specified: . Water-cement mass ratio between 0.4 and 0.6 to promote strength and durability . Silica fume admixture (5 percent of dry weight) to increase durability by limiting porosity and permeability . Superplasticizer (1 percent of dry weight) for workability 4.1.3.3 Excess Grout Total grout used for each rockbolt will be limited to three times that needed to fill the annulus around the steel bolt (CRWMS M&O 2000a, TBV-4621). Rockbolt Design The rockbolts evaluated for this model are nominally 2.15-m long, 1.125-in. diameter steel bolts grouted into 2.5-inch diameter holes (CRWMS M&O 2000a) (TBV-4588). Rockbolts will be installed in radial arrays of six bolts installed in the roof of the drift; this will be repeated every 1.5 m along drift. The rockbolts will be used in addition to steel sets only where the repository is constructed in the middle nonlithophysal unit of the Topopah Springs tuff. ANL-EBS-MD-000033, REV 00 ICN 1 52 July 2000 The mass of cement used in the grout will be 22.65 kg per rockbolt (including the threefold excess). With six rockbolts every 1.5 m along the drift opening, the cement usage will be 91 kg/m (only in the portion of the potential repository where grouted rockbolts are used). 4.1.3.4 Composition of Fracture Water in the Unsaturated Zone The grout will be fluid-saturated when first installed. Moisture potential equilibrium will be reached with the adjacent rock matrix, whereupon the grout will be partially saturated. The grout permeability in this condition will be low (a fraction of the saturated permeability in Assumption 5.3.5). For significant leachate to form and flow into the drifts, the source of the water will be fracture flow because the relative permeability of the grout at likely values of the in situ matrix moisture potential will be low. Accordingly, the initial composition of water that interacts with the grout and flows into the drifts is that of fracture water. Naturally occurring percolating fracture waters have not been observed in the host rock, possibly because fracture flow is episodic. Consequently, groundwater from well J-13 is used as an analogue for fracture water that percolates through the host rock and may seep into drifts. The basis for this is documented by Harrar et al. (1990, DTN LL980711104242.054). Notice that this data set is not used directly in producing a technical output that provides estimates for any of the principal factors or potentially diruptive process events. The Cementitious Materials Model concerns only major changes in water composition; thus, only the major chemical constituents of J-13 water (Table 15) are used in models of leachate composition. Table 15. Composition of Fracture Water Used for Cementitious Material Model pH = 7.41 Concentration Concentration Element (mg/L) A (mol/kg) B Species (mg/L) A (mol/kg) B Na 45.8 1.99E-003 F – 2.18 1.15E-004 K 5.04 1.29E-004 Cl – 7.14 2.02E-004 Ca 13.0 3.24E-004 NO 3– 8.78 3.19E-005 Mg 2.01 8.27E-005 SO4 2– 18.4 1.92E-004 Si 28.5 1.02E-003 HCO3 – 128.9 2.11E-003 Notes: A. Source DTN: LL980711104242.054, B. Source: file “grout301.out” (Section 6.3; Attachment I) Composition of matrix porewater in the UZ is variable, and greater concentrations for certain constituents have been observed than are present in J-13 water. For example, matrix porewater chloride concentration data for various tuff units at Yucca Mountain (GS970908312271.003 and GS961108312271.002) (TBV-3588) may be compared with the average chloride concentration for J-13 water (discussed in Section 4.1.2.2). Compared to other waters such as matrix porewater, calculated results for the Cementitious Materials Model are relatively insensitive to the use of J-13 water as an initial composition because, for the repository CO2 and temperature conditions considered, leachate composition tends to be dominated by solutes such as calcium and sulfate, which are derived from the cement. ANL-EBS-MD-000033, REV 00 ICN 1 53 July 2000 Grout make-up water also has the same chemical composition as J-13 well water in this model. Groundwater that is used for construction will be similar in composition to J-13 water. Compared to other waters (e.g., matrix porewater), calculated results are relatively insensitive to the use of J-13 for make-up water for the same reasons given previously. 4.1.3.5 Temperature and CO2 Fugacity The temperature and CO2 fugacity conditions used for the Cementitious Materials Model, for the L4C4 model location with the “upper” infiltration distribution, are calculated in Section 6.1 and Section 6.2 of this report. 4.1.4 Microbial Effects Model Those corrosion-resistant materials (CRMs) under consideration in the current repository design (DTN: LL991203505924.094) contain carbon, phosphorus, and sulfur in the amounts shown in Table 16. Table 16. Selected Elements Contained in Considered Corrosion-Resistant Materials CRM Carbon Phosphorus Sulfur Ti Gr.7 A 0.08% 0% 0% Alloy-22 A 0.015% 0.02% 0.02% 316L B 0.03% 0.045% 0.03% NOTES: A ASTM 1994, pp.110-116, 410–413 B ASTM 1997b, pp. 36–42 Corrosion rates for carbon steel and Alloy-22 are shown in Table 17. These rates came from electrochemical polarization resistance measurement on coupons that were incubated in tuff cultures. The data in Table 17 constitute best available information regarding the acceleration of corrosion by microbial effects. Table 17. Corrosion Rates from Polarization-Resistance Experiments Tested Sample Initial Condition Average Corrosion Rate (mm/yr) Carbon Steel Alloy 1020 + YM microbes 8.800 Sterile Carbon Steel Alloy 1020 1.400 Alloy-22 + YM microbes 0.022 Sterile Alloy-22 0.011 DTN: LL991203505924.094 NOTES: YM = Yucca Mountain Blank fields indicate not analyzed n.d. = not detected ANL-EBS-MD-000033, REV 00 ICN 1 54 July 2000 4.1.5 Normative Precipitates and Salts Model 4.1.5.1 J-13 Water Composition Well J-13 is a producing water well that is screened in the Topopah Spring welded tuff. J-13 water is of the dilute NaHCO3 type, and its composition is used as a chemical analogue for fracture waters in the repository host rock. As described in the following text, this is a conservative approach with respect to prediction of high-pH conditions. The concentrations for various analytes, computed as mean values over 19 analyses, are shown in Table 18. A synthetic J-13 well water was created for use in evaporation tests, by combining several inorganic compounds with deionized water, mixing and stirring for several days. The procedure was undertaken at room temperature, under ambient atmospheric gas composition conditions. The batch was decanted and analyzed for metals (Ca, Mg, Na, K, and Si) by inductively coupled plasma spectrometry, for anions (chloride, fluoride, nitrate, and sulfate) by ion chromatography, and for bicarbonate by infra-red analysis (spectral absorption by purged CO2). The pH was also measured. The composition of synthetic J-13 water is compared with sampled J-13 water in Table 19. The significance of differences in composition is discussed in Section 6.5.4. ANL-EBS-MD-000033, REV 00 ICN 1 55 July 2000 Table 18. Major Ion Concentrations for J-13 Well Water Q ualified? Al mg/L B mg/L Ca mg/L Cl mg/L F mg/L Fe mg/L HCO3 A mg/L K mg/L Li mg/L Mg mg/L Mn mg/L Na mg/L NO3 mg/L PO4 mg/L Si mg/L SO4 mg/L Sr mg/L pH B 1 Y — — 14 8.4 2 160 124 6.6 40 2.4 240 46 5.6 D 120 26.7 25 D 100 7 2 Y 62 140 14 7.4 2.4 40 136 5 — 1.8 110 48 4.5 D < 10 27.1 23 D — 6.8 3 Y — — 13 7.2 2.7 < 10 126 4.8 40 2.1 30 44 6.8 < 10 28.5 18 90 7.6 4 Y 8 130 14 5.4 D 2.4 < 10 124 5.4 40 2.5 < 10 44 9 < 10 26.7 18 90 7.3 5 Y — — 12 7.1 2.4 < 10 124 5 40 2.1 < 10 42 7.2 < 10 26.7 17 20 7.4 6 Y — — 13 7.7 1.7 0.0 D,E 130 4.7 50 2 — 47 — — — 21 60 7.3 7 Y — — 13 7.5 1.7 0.0 D,E 130 4.7 50 2 — 50 — — — 20 40 7.3 8 Y 8 — 12 6.4 2.1 11 170 D 5.5 — 1.7 12 46 9.9 — 31 18 40 9 Y 26 — 11.5 6.4 2.1 44 143 5.5 70 1.73 11 45 10.1 100 D,G 30 18 40 6.9 10 Y 40 — 14 6.3 1.8 39 127 5 59 2.2 14 50 9.1 < 100 37.6 D 18 45 8.3 11 Y 12 8.1 2.2 120 4.5 1.9 44 8.1 28.5 17 7.7 12 Y 12 7 2.2 120 3.7 2 44 8.3 26.6 19 7.6 13 Y 30 — 11.5 6.4 2.1 40 143 5.3 60 1.8 1 45 10.1 — 30 18 — 6.9 14 Y 12 128 12.5 G 6.9 G 2.2 H 6 125 F,H 5.1 H 42 1.9 H — 44 9.6 — 27 H 18.7 H 35 7.6 15 Y — 142 12.5 7 2.2 — — 4.8 — 1.9 — 45 8.4 < 100 27.2 18.1 — — 16 Y — — — — — — 45 — 27.2 — — 17 Y < 100 130 14 — — < 10 — — 49 2.1 < 5 47 — — 30.9 — 41 — 18 Y 110 < 100 15 7.3 2.7 — 118 5.5 — 2.1 — 50 8.7 2800 D,G 31.9 18.8 — 7.2 19 Y < 100 — 13 7.1 2.1 < 10 143 4.5 40 2 — 45 8.9 — 30 18.7 40 8.2 N 8 5 18 16 8 7 13 17 12 18 7 19 13 1 16 15 12 15 Avg 37 134 12 6.7 4.4 49 139 4.7 48 1.9 60 46 8.8 120 26.8 17 53 6.8–8.3 Source DTN: LL980711104242.054 (Harrar et al. 1990) NOTES: Blank fields represent analyses that were not made. Symbol “—“ indicates below detection limit of the analytical methods. A Alkalinity expressed as bicarbonate B pH is not average but is expressed as the total range of measured values C Date and source identifiers exactly as they appear in source DTN D Not used in calculation of mean value; also, non-detects or less-than values are not used in calculation of mean. E Data from reference 3 of the source report, as cited in source DTN F Data from reference 10 of the source report, as cited in source DTN G Value indicated as “probably erroneous” in source DTN. H These values represent averages over a 12-month period, as reported by the source DTN. ANL-EBS-MD-000033, REV 00 ICN 1 56 July 2000 4.1.5.2 Synthetic Porewater Composition A second set of tests was performed to investigate precipitates that could be produced by evaporation of matrix porewater, a reference water composition based qualitatively on reported analyses for porewater extracted from the Topopah Spring welded tuff (DTN: LB991200DSTTHC.001) (TBV-4575). Such waters have substantially less Na and K and more Ca and Mg than does J-13 water, and the anionic species are dominated by sulfate and chloride instead of bicarbonate. A synthetic porewater (SPW) was created for use in evaporation tests by combining several inorganic compounds with deionized water, mixing, and stirring for several days. The procedure was undertaken at room temperature, under ambient atmospheric gas compositional conditions. The batch was then decanted to remove undissolved reagents, and the resulting solution was analyzed for metals (Ca, Mg, Na, K, and Si) by inductively coupled plasma spectrometry, for anions (chloride, fluoride, nitrate, and sulfate) by ion chromatography, and for bicarbonate by alkalinity titration. The pH was also measured. The average of measured compositions for several batches of synthetic porewater is given in Table 20. 4.1.6 EBS Colloids Model 4.1.6.1 Steel Contained in Engineered Barrier System Components See Table 27, Mass and Surface Area for Structural Steel Used in the Engineered Barrier System. 4.1.6.2 Groundwater Chemistry See Table 18, Major Ion Concentrations for J-13 Well Water. Table 19. Average Composition of Synthetic J-13 Water Used in Reported Tests Species Synthetic J-13 Water (mg/L) Average J-13 Water (mg/L) Ca 6.4 12 Cl– 6.9 6.7 F– 2.2 4.4 HCO3 – 108 139 K 5.3 4.7 Mg 2.2 1.9 Na 46 46 NO3 – 8.0 8.8 SO4 2– 18.1 17 Si(aq) 11.3 57.3 pH 7.84 6.8-8.3 DTN: LL991008104241.042 and LL980711104242.054 NOTE: Average J-13 water composition from Table 18. ANL-EBS-MD-000033, REV 00 ICN 1 57 July 2000 Table 20. Average Composition of SPW Used in Reported Tests Ions Synthetic Porewater (mg/L) Average Porewater (mg/L) A Ca2+ 57.3 ± 1.80 101 Cl– 76.6 ± 1.30 117 F– 2.16 ± 0.09 0.86 HCO3 – 20.3 ± 4.30 200 B K+ 4.0 ± 0.27 8.0 Mg2+ 11.8 ± 0.20 17 Na+ 8.56 ± 0.32 61.3 NO3 – 10.7 ± 0.29 Note C SO4 2– 83.9 ± 1.90 116 SiO2(aq) 22.2 ± 2.1 70.6 pH 7.55 ± 0.12 8.32 (25°C) DTN: LL991008004241.041 and LB991200DSTTHC.001 (TBV-4575) NOTES: A Averages from porewater samples ESF-HD-PERM1(30.1’-30.5’). B Total dissolved inorganic carbon reported as bicarbonate; calculated from charge balance. C Not analyzed. 4.1.6.3 Size Distribution of Groundwater Colloids The size and concentration distributions for colloids in groundwaters, are used as analogues for colloid distribution in waters that may flow through the EBS. A number of wells in the vicinity of Yucca Mountain have been sampled (from the saturated zone), and the resulting data are shown in Tables 21 and 22. 4.1.6.4 Sorption Coefficients of Pu and Am on Hematite, Montmorillonite, and Sillica Colloids Sorption Coefficient values for sorption of Pu and Am on Hematite, Montmorillonite, and Sillica Colloids are presented in Table 59 in Section 6.6.3.2. The source DTNs of the data are LA0003NL831352.002 and LA0005NL831352.001 (TBV). 4.1.6.5 Miscellaneous Parameters, Equations, and Physical Constants The specific gravity of anhydrous hematite is assigned a value of 5.24 (Perry and Chilton, 1973, B-109). Diffusion coefficients and molecular diameters for nonelectrolytes are listed in Table 23. ANL-EBS-MD-000033, REV 00 ICN 1 58 July 2000 Table 21. Colloid Concentrations and Sizes from Nye County Wells Colloid Size (nm) Nye County NC-EWDP- 01S, @~170 ft (5/18/99) (counts/mL) Nye County NC-EWDP- 01S, 250 ft (5/17/99) (counts/ mL) Nye County NC-EWDP- 03S, @~449 ft (5/20/99) (counts/mL) Nye County NC-EWDP- 03S, @~390 ft (5/20/99) (counts/mL) Nye County NC-EWDP- 09SX, @~310 ft (5/18/99) (counts/ mL) Nye County NC-EWDP- 09SX. @~270 ft (5/19/99) (counts/mL) Nye County NC-EWDP- 09SX, @~150 ft (5/19/99) (counts/mL) Nye County NC-EWDP- 09SX, @~112 ft (5/19/99) (counts/mL) Nye County Airport Well AD-2 (6/10/99) (counts/mL ) 50 9.27E+05 2.33E+06 5.47E+07 2.79E+08 6.28E+06 1.10E+07 1.19E+07 1.07E+07 7.90E+06 60 1.01E+06 2.79E+06 6.86E+07 3.14E+08 6.24E+06 1.35E+07 1.33E+07 1.36E+07 1.11E+07 70 8.64E+05 2.57E+06 6.77E+07 3.38E+08 6.43E+06 1.14E+07 1.27E+07 1.22E+07 1.06E+07 80 8.01E+05 1.92E+06 5.37E+07 2.86E+08 5.78E+06 9.76E+06 1.18E+07 8.86E+06 1.12E+07 90 8.51E+05 1.44E+06 4.31E+07 2.02E+08 4.40E+06 9.25E+06 1.27E+07 7.82E+06 9.10E+06 100 1.14E+06 2.09E+06 3.06E+07 1.30E+08 3.41E+06 5.26E+06 8.44E+06 5.62E+06 7.06E+06 110 8.01E+05 1.93E+06 1.34E+07 6.52E+07 1.84E+06 4.08E+06 6.85E+06 3.55E+06 5.36E+06 120 7.26E+05 9.90E+05 5.10E+06 5.04E+07 1.11E+06 1.83E+06 5.01E+06 2.47E+06 2.96E+06 130 5.26E+05 7.90E+05 7.88E+06 2.96E+07 8.42E+05 1.61E+06 3.42E+06 1.53E+06 3.11E+06 140 6.26E+05 7.27E+05 3.25E+06 2.82E+07 6.89E+05 1.19E+06 2.79E+06 1.48E+06 2.96E+06 150 5.76E+05 5.26E+05 2.32E+06 1.48E+07 3.06E+05 9.34E+05 1.75E+06 7.19E+05 2.12E+06 160 4.51E+05 5.89E+05 1.85E+06 2.22E+07 3.45E+05 7.64E+05 1.51E+06 7.19E+05 1.62E+06 170 4.13E+05 6.02E+05 9.28E+05 7.42E+06 2.30E+05 3.82E+05 1.35E+06 7.64E+05 1.06E+06 180 3.13E+05 4.76E+05 1.39E+06 7.42E+06 1.53E+05 5.94E+05 1.19E+06 5.39E+05 9.88E+05 190 3.63E+05 4.76E+05 1.39E+06 4.45E+06 1.92E+05 2.12E+05 1.35E+06 2.25E+05 9.88E+05 200 3.51E+05 6.02E+05 4.62E+05 5.93E+06 2.68E+05 5.94E+05 1.19E+06 6.29E+05 1.41E+06 Total 50 to 200 nm Colloid Particles (counts/mL) 1.07E+07 2.09E+07 3.56E+08 1.78E+09 3.85E+07 7.24E+07 9.71E+07 7.14E+07 7.95E+07 DTN: LA0002SK831352.001 ANL-EBS-MD-000033, REV 00 ICN 1 59 July 2000 Table 22. Colloid Concentrations and Sizes from Yucca Mountain Site Characterization Project Wells Colloid Size (nm) J13 Unfiltered (3/2/99) (counts/mL) SD6 Unfiltered (6/2/99) (counts/mL) SD6 Unfiltered (6/8/99) (counts/mL) WT-17 Unfiltered (7/1/98) (counts/mL) WT-3 Unfiltered (6/22/98) (counts/mL) WW20 0.45 Unfiltered (11/5/97) (counts/mL) UE29A1 Unfiltered (11/06/97) (counts/mL) UE29A2 Unfiltered (11/06/97) (counts/mL) C Well Unfiltered (2/18/99) (counts/mL ) 50 2.00E+05 6.36E+07 1.49E+07 2.57E+08 8.75E+05 8.19E+06 8.01E+05 3.54E+06 4.64E+05 60 2.50E+05 7.91E+07 1.72E+07 3.02E+08 8.50E+05 1.06E+07 1.03E+06 5.15E+06 5.88E+05 70 2.05E+05 8.80E+07 1.69E+07 3.01E+08 1.08E+06 9.69E+06 9.70E+05 4.76E+06 6.06E+05 80 1.64E+05 7.17E+07 1.48E+07 2.64E+08 6.25E+05 7.34E+06 8.31E+05 4.70E+06 4.84E+05 90 1.32E+05 5.74E+07 1.24E+07 2.39E+08 6.50E+05 5.25E+06 7.36E+05 3.81E+06 3.24E+05 100 7.22E+04 4.26E+07 8.67E+06 2.04E+08 5.75E+05 4.71E+06 6.92E+05 3.23E+06 5.93E+05 110 3.98E+04 2.64E+07 4.46E+06 1.28E+08 4.75E+05 2.92E+06 5.57E+05 2.45E+06 3.99E+05 120 1.93E+04 1.71E+07 3.85E+06 9.42E+07 3.50E+05 1.95E+06 3.18E+05 1.93E+06 2.36E+05 130 2.74E+04 1.63E+07 3.49E+06 6.28E+07 5.50E+05 1.49E+06 3.08E+05 1.58E+06 1.55E+05 140 2.30E+04 6.59E+06 1.93E+06 6.16E+07 2.50E+05 1.30E+06 2.94E+05 1.33E+06 1.34E+05 150 1.99E+04 1.16E+07 1.93E+06 4.59E+07 2.25E+05 1.01E+06 1.89E+05 1.25E+06 1.19E+05 160 8.72E+03 6.59E+06 8.43E+05 4.35E+07 1.25E+05 8.51E+05 1.79E+05 7.64E+05 1.04E+05 170 1.12E+04 6.59E+06 9.63E+05 3.02E+07 2.50E+05 6.89E+05 1.79E+05 5.13E+05 1.09E+05 180 4.98E+03 5.81E+06 1.08E+06 2.54E+07 1.50E+05 3.76E+05 1.14E+05 6.26E+05 1.24E+05 190 9.34E+03 5.04E+06 4.82E+05 2.66E+07 3.75E+05 3.13E+05 1.19E+05 4.38E+05 9.02E+04 200 4.36E+03 3.10E+06 1.20E+06 2.54E+07 3.75E+05 5.26E+05 1.29E+05 5.01E+05 1.04E+05 Total 50 to 200 nm Colloid Particles (counts/ml) 1.19E+06 5.07E+08 1.05E+08 2.11E+09 7.78E+06 5.72E+07 7.45E+06 3.66E+07 4.63E+06 DTN: LA0002SK831352.002 Table 23. Diffusion Coefficients and Molecular Diameters for Nonelectrolytes Diffusion Coefficient (cm2/sec*105) Diameter (Å) 2.2 2.9 0.7 6.2 0.25 13.2 0.11 28.5 0.05 62.0 0.025 132.0 NOTE: Source: Perry and Chilton, 1973, Table 17-10, p. 17-38 ANL-EBS-MD-000033, REV 00 ICN 1 60 July 2000 4.1.7 Chemical Reference Model The required inputs for EQ3/6 modeling are described in Section 4.1.7.1 through Section 4.1.7.8. 4.1.7.1 Reference Chemical Composition of Fracture Water in the Host Rock Naturally occurring percolating fracture waters have not been observed in the host rock, possibly because fracture flow is episodic. Groundwater from well J-13 is chemically analogous to fracture water that percolates through the host rock and may seep into drifts. The basis for this was originally documented by Harrar et al. (1990). The major chemical constituents of J-13 water are shown in Table 18. As discussed in Section 6.5.7, J-13 water, compared with matrix porewaters that contain more chloride and sulfate, produces higher pH conditions when evaporated. 4.1.7.2 Thermal-Hydrologic Conditions Zone-averaged temperature, liquid fluxes, vapor fluxes, and liquid masses are calculated by the TH Model. Repository center and edge locations, and the “lower” and “upper” infiltration distributions, are considered in the TH Model for four cases. The L4C4 location, with the “upper” infiltration distribution, is selected as the reference case for chemical analysis. The six zones defined for the TH Model, plus the far-field host rock (Zone 0), as shown in Figure 2 and Figure 3 (Section 6.1.2.1) are combined into four composite zones for the Chemical Reference Model, as represented in Table 24. The use of composite zones for the reference model is discussed in Section 6.7. In the reference model, for each time period, the necessary fluxes between composite zones, liquid masses for each composite zone, average temperatures for each composite zone, and evaporative concentration factors for each composite zone are calculated and compiled as discussed in Section 3.1.2.8 (e.g., file: “th+gas_model-L4C4-ui-04.xls”; worksheet: CHEMprobL4C4upper). The values used for the Chemical Reference Model are shown in Table 25. 4.1.7.3 CO2 and O2 Fugacities For chemical modeling, the necessary CO2 and O2 fugacities for each time period are compiled as discussed in Section 3.2 (e.g., file: “th+gas_model-L4C4-ui-04.xls”; worksheet: CHEMprobL4C4upper). These fugacities are considered uniform throughout the zones modeled. The values used for the Chemical Reference Model are shown in Table 25. 4.1.7.4 Thermodynamic Data The thermodynamic data used for these calculations consists of the “data0.com” supplied with EQ3/6 V7.2b (Attachment I). Only a subset of the data in this file are important to the chemical modeling presented in this report. Many of the data values are also part of the “data0.sup.R2” file (Attachment I). ANL-EBS-MD-000033, REV 00 ICN 1 61 July 2000 Table 24. Correspondence Between Thermal Hydrology Model Zones and Composite Zones for the Chemical Reference Model TH Model Zones Chemical Reference Model Composite Zones Zone 0 (far-field host rock) Zone 0 Zone 1 (host rock) Zone 2 (drift wall) Zone 1/2 Zone 3 (backfill) Zone 4 (drip-shield surface) Zone 3/4 Zone 5 (lower backfill) Zone 6 (invert) Zone 5/6 A number of potential minerals were removed from the calculations by artificially suppressing their formation. This is done in geochemical modeling, when the chemical database includes minerals that either cannot form, or are unlikely to form, at the environmental conditions of the model. The database includes a superset of mineral species that can be used for many different types of geochemical problems, but some of these must typically be suppressed for a particular problem. Also, Gibb’s phase rule (Stumm and Morgan, 1981, p. 304) limits the number of compositionally similar minerals that can coexist in a solvable geochemical problem. Mineral suppression was accomplished in part by using the suppression option in EQ3/6. However, because the number of minerals to be suppressed exceeded the hard-coded array limits in version 7.2b, a number of these minerals were eliminated from a special copy of the “data0.com” data file, named “data0.elh” (Attachment I). A list of the suppressed phases is included in each EQ3/6 input file. The rationale for suppressing certain minerals is twofold. First, it is recognized that kinetics generally prevents the formation of certain phases under the conditions of temperature, pressure, etc., in the systems modeled here (on the pertinent time scales). Second, it is recognized that the existing thermodynamic database overestimates the stability of a number of silicate minerals with respect to clay minerals. Both arguments are supported by observed mineral assemblages, including those at Yucca Mountain in both fractures and the tuff matrix. The mineral assemblages in the calculations are thus partially controlled by judgment, and not just by the available thermodynamic data. Rationale for phase suppression used in the Chemical Reference Model is provided in Section 6.7.1. ANL-EBS-MD-000033, REV 00 ICN 1 62 July 2000 Table 25. Input Data Describing Thermal-Hydrologic Conditions and CO2 and O2 Gas Fugacities and Fluxes for the Chemical Reference Model Zone 0 (tsw35 host rock) Simulation Time Nominal Time (yr) From (yr) To (yr) Estimated PCO2 (atm) Estimated PO2 (atm) Air-Mass Fraction Temperature (°C) 100 50 300 9.0845E-07 2.3840E-04 6.646E-01 73.64 500 300 700 1.8052E-06 4.7360E-04 3.788E-01 87.30 1000 700 1500 1.5361E-06 4.0304E-04 4.142E-01 86.31 2000 1500 2500 5.4053E-06 1.4165E-03 6.156E-01 78.21 5000 2500 10000 3.3135E-05 8.6089E-03 9.073E-01 50.19 Zone 1/2 (tsw35 rock) Simulation Time Nominal Time (yr) From (yr) To (yr) Liquid Influx from Zone 0 (kg/m-sec) Liquid Mass (kg/m) Liquid Flux Out (kg/m-sec) Evaporation or Condensation Factor A Temperature (°C) 100 50 300 3.491E-05 7.417E+04 -3.209E-05 1.088E+00 80.81 500 300 700 3.353E-05 7.867E+04 -3.429E-05 9.778E-01 90.05 1000 700 1500 6.165E-05 8.241E+04 -7.020E-05 8.782E-01 88.42 2000 1500 2500 6.103E-05 8.277E+04 -6.168E-05 9.895E-01 79.96 5000 2500 10000 1.049E-04 8.234E+04 -1.050E-04 9.995E-01 51.69 Zone 3/4 (quartz sand) Simulation Time Nominal Time (yr) From (yr) To (yr) Liquid Influx from Zone 1/2 (kg/m-sec) Liquid Mass (kg/m) Liquid Flux Out (kg/m-sec) Evaporation or Condensation Factor A Temperature (°C) 100 50 300 0.000E+00 0.000E+00 0.000E+00 189.77 500 300 700 2.510E-06 2.500E+00 0.000E+00 111.16 1000 700 1500 1.105E-05 2.553E+02 -1.039E-06 1.064E+01 96.05 2000 1500 2500 5.646E-06 3.933E+02 -5.156E-06 1.095E+00 86.95 5000 2500 10000 8.684E-06 4.412E+02 -8.647E-06 1.004E+00 56.95 Zone 5/6 (quartz sand with crushed tuff) Simulation Time Nominal Time (yr) From (yr) To (yr) Liquid Influx from Zone 3/4 (kg/m-sec) Liquid Mass (kg/m) Liquid Flux Out (kg/m-sec) Evaporation or Condensation Factor A Temperature (°C) 100 50 300 0.000E+00 0.000E+00 0 200.53 500 300 700 0.000E+00 0.000E+00 0 127.29 1000 700 1500 1.039E-06 7.242E+00 0 99.13 2000 1500 2500 5.156E-06 2.043E+02 -4.931E-06 1.046E+00 88.46 5000 2500 10000 8.647E-06 2.232E+02 -8.625E-06 1.003E+00 58.90 NOTE: A Evaporative concentration is indicated by values greater than unity; condensative dilution is indicated by values less than unity. ANL-EBS-MD-000033, REV 00 ICN 1 63 July 2000 4.1.7.5 Grain-Size Distribution for Backfill Grain-size distribution for the Overton Sand backfill material (unsieved) was obtained from DTN: MO9912EBSPWR28.001. The size distribution data used in this model are shown in Table 26. Notice that the data are not used directly in producing a technical output that provides estimates for any of the principal factors or potentially diruptive process events. 4.1.7.6 Surface Area of Exposed Structural Steel The surface area of steel that will be used for ground support and the invert structural supports shown in Table 27. Table 26. Size Distribution Data for the Overton Sand Backfill Material Size (diameter) 0.053 to 0.100 mm 0.10 to 0.25 mm 0.25 to 0.50 mm 0.5 to 1.0 mm 1.0 to 2.0 mm Sample # Percentage Mass Total Percentage 99-0001 1.8 56.8 37.7 3.6 0 99.90 99-0002 2.4 58.9 35.9 2.7 0 99.90 99-0003 1.9 52.3 42.2 3.6 0 100.00 99-0004 1.8 50.9 44.2 3.1 0 100.00 99-0005 2.5 59 36.2 2.3 0 100.00 Averages (%) 2.08 55.58 39.24 3.06 0 99.96 NOTES: Source: DTN MO9912EBSPWR28.001 A Additional mass may reside in a clay-size fraction. Table 27. Mass and Surface Area for Structural Steel Used in the Engineered Barrier System Zone Steel Mass (kg/m) Surface Area (m2/m) Remark 3 260 6.95 Ground support above springline (full drift)—maximum value developed for 30% of drifts in which rockbolts will be installed 5 140 1.49 Ground support and other structures above invert and below springline (full drift) 6 785 2.50 Ground support and other structures within the invert (full drift) Composite 1/2 0 0 Composite 3/4 260 6.95 Composite 5/6 925 3.99 Source: CRWMS M&O 1999e ANL-EBS-MD-000033, REV 00 ICN 1 64 July 2000 4.1.7.7 Corrosion Rate for Structural Steel Rate equation for general corrosion of A516 steel were obtained from laboratory test results (CRWMS M&O 2000b) (TBV-4586). The reported results were measured with vapor-phase coupon samples at temperatures as great as 90°C, with saturated humidity, and in the presence of chemical constituents from the aqueous phase (a synthetic concentrated J-13 water). The correlation developed by the authors for Case 2 data is ÷ø ö çè æ × + × + + + = NaCl 3 2 1 0 C b pH b 273 T 1000 b b exp r (Eq. 10) where r = penetration rate (mm/yr) b0 = –10.035 b1 = –0.4657 b2 = 1.5795 b3 = 1.8258 T = Temperature (°C) CNaCl = Concentration of NaCl in the aqueous phase, expressed in weight percentage 4.2 CRITERIA The EBS P&CE Model is developed to provide the methodology, and specific results, for demonstrating compliance with the system criteria shown in Table 28 (CRWMS M&O 2000c). Pillar and drift-wall temperature criteria (1.2.1.3 through 1.2.1.5) will not be addressed by the models developed in this report, because for a given thermal power output, they are controlled by the host rock rather than the engineered system. 4.3 CODES AND STANDARDS The following twol ASTM standards are cited to document the mineral composition of steels (Alloy-22 and 316L) used in the Microbial Effects Model: ASTM B 575-94. 1994. Standard Specification for Low-Carbon Nickel-Molybdenum-Chromium, Low-Carbon Nickel-Chromium-Molybdenum, and Low-Carbon Nickel-Chromium-Molybdenum- Tungsten Alloy Plate, Sheet, and Strip. Philadelphia, Pennsylvania: American Society for Testing and Materials. TIC: 237683. ANL-EBS-MD-000033, REV 00 ICN 1 65 July 2000 ASTM A 240/A 240M-97a. 1997b. Standard specification for heat-resisting chromium and chromium-nickel stainless steel plate, sheet, and strip for pressure vessels. West Conshohocken, PA: American Society for Testing and Materials. TIC: 241744. 5. ASSUMPTIONS The assumptions listed in this section describe model inputs, or factors considered in selecting model features, for which special justification is provided. For each assumption in the sections below, a statement is made as to whether additional justification is required, and if so then what impacts on the model results may be expected. 5.1 THERMAL HYDROLOGY MODEL 5.1.1 Effective Tortuosity Factor A value of 0.7 is assumed for the effective tortuosity factor (t) for gas-phase diffusive mass transfer for all hydrostratigraphic units. This factor is the ratio of the vapor diffusion enhancement factor (shown to be unity for welded tuff in laboratory tests; Wildenschild and Roberts 1999, Equation 10 and pp. 19–20) to the path tortuosity (a number representing the ratio of actual distance traveled by diffusing species in the gas phase to the straight-line distance). Thus the tortuosity factor (t) is proportional to tortuosity as defined by Bear (1988; Eq. 4.8.26). The value developed by Bear (2/3) is rounded to 0.7. The use of effective tortuosity in NUFT V3.0s is discussed in Hardin et al. (1998, Section 3.3.4.2). For liquid-phase mass transfer, an effective tortuosity (t) of zero is assumed. Liquid-phase diffusive mass transfer is insignificant compared to the corresponding gas-phase process because diffusion coefficients are much smaller in liquids (Incropera and DeWitt 1996, Table A-8, p. 849; compare diffusion coefficients for gases and dilute solutions). Also, for TH calculations the diffusion of liquid water in an aqueous phase is unimportant. This assumption is used in the calculations described in Section 6.1. No further justification of this assumption is required. 5.1.2 Homogeneous Fracture Continuum In the conceptual basis for NUFT V3.0s, the fracture network is assumed to behave as a continuous porous medium with homogeneous properties within each hydrostratigraphic unit. This assumption is used in development of the UZ model, from which the unit properties used in this report were obtained, and therefore applies to this model. Any tendency to underestimate seepage, resulting from this assumption, is compensated in the TH models developed for this report, through the use of backfill as discussed in Section 6.1.1. This assumption is consistent with the purpose of the TH calculations reported here, which is to calculate the average response to heating under a range of effective seepage inflow conditions. This assumption is used in the calculations described in Section 6.1. No further justification of this assumption is required. ANL-EBS-MD-000033, REV 00 ICN 1 66 July 2000 Table 28. Waste Emplacement Drift System Criteria Addressed by the EBS P&CE Model Criterion Description 1.2.1 System Performance Criteria 1.2.1.8 For 10,000 years, the system shall allow free-liquid-phase water to drain out of emplacement drifts, via the emplacement drift floor, at a rate of: 2 cubic meters per meter of emplacement drift, with duration of 1 week, and frequency of 1 per year (TBV-284). 1.2.1.9 The invert structural members shall be composed of carbon steel. 1.2.1.10 The invert ballast shall maintain the pH of water within the ballast to between 6.7 and 10.2 (TBV-3881) for 10,000 years. 1.2.1.11 The invert ballast material shall be granular. 1.2.1.19 The backfill shall maintain the pH of water within the backfill to between 6.7 and 10.2 (TBV-3881) for 10,000 years. 1.2.2 Safety Criteria 1.2.2.2 Non-nuclear Safety Criteria 1.2.2.2.1 The selection of invert ballast and backfill materials shall consider the known health and safety hazards of the materials. 1.2.3 System Environment Criteria 1.2.3.8 Values representing the initial condition of the Natural Barrier shall be obtained from the Technical Data Management System. 1.2.4 System Interfacing Criteria 1.2.4.1 The system shall be designed in accordance with the interface agreements defined in “Interface Control Document for Waste Packages and the Mined Geologic Disposal System Repository Subsurface Facilities and Systems for Mechanical and Envelope Interfaces.” 1.2.4.4 The system shall accommodate a maximum WP thermal output of 11.8 kW at the time of emplacement. 1.2.4.5 The system shall accommodate removal of 70 percent of the heat generated by WPs by the Subsurface Ventilation System during the preclosure period. 1.2.4.8 The system shall accommodate a nominal spacing of 81 m between emplacement drifts. 1.2.4.9 The system shall accommodate a nominal drift excavated diameter of 5.5 m. 1.2.4.13 The system shall accommodate an emplacement drift ground support system composed primarily of carbon steel (steel sets and/or rock bolts and mesh). 1.2.4.14 The system shall affect the emplacement drift environment such that WP near field environments are maintained as follows: Temperature and humidity (TBD-234) Microbial 1014 microbes/year/m of drift (TBV-3881) Colloidal 8 x 10-6 (TBV-3881) to 6 x 10-5 mg/ml (TBV-3881) Water pH 6.7 to 10.2 (TBV-3881) 1.2.6.2 The system shall comply with the applicable assumptions contained in the “Monitored Geologic Repository Project Description Document.” Source: CRWMS M&O 2000c NOTE: For specific references to system functions, other requirements, and applicable regulations, the reader is referred to the source document. ANL-EBS-MD-000033, REV 00 ICN 1 67 July 2000 5.1.3 Component Properties The properties of components air and water, distributed in the gas and liquid phases, are incorporated in a NUFT V3.0s input file (vtough.pkg, Attachment I). The values used are approximations that are suitable either because different values would have a negligible effect on the NUFT V3.0s results, or because they are not used in TH simulations such as these which do not use the contaminant transport features of NUFT V3.0s. For those parameters that are used in TH simulations, the assumed values consist of the following: . Equivalent molecular weight of air: 29.0 g/mol . Molecular weight of water: 18.0 g/mol . Binary diffusivity for water vapor into air in the gas phase: q tf ÷ø ö çè æ + = 273 273 T D S D va g (Eq. 11) where Dva = 2.13 ´ 10–5 m2/sec q = 1.8 (dimensionless) T = temperature in °C t = effective tortuosity coefficient Sg = gas saturation (calculated by NUFT) f = porosity . Diffusivity of air in liquid water: 10–9 m2/sec . Specific heat of air (Cp): 1009 J/kg–K This assumption is used in the calculations described in Section 6.1. No further justification of this assumption is required. 5.1.4 Zero Dispersion Coefficients For TH problems, the use of zero dispersion for the gas phase is equivalent to an assumption that dispersive behavior is small relative to diffusion or that velocities are small. For gas-phase mass flux rates, gas densities, and fracture porosities and apertures used in this report, the resulting Peclet Number is much less than unity, therefore dispersion can be neglected in TH simulations in accordance with established principles (Bear, 1988; p.608). This assumption is used in the calculations described in Section 6.1. No further justification of this assumption is required. ANL-EBS-MD-000033, REV 00 ICN 1 68 July 2000 5.1.5 Preclosure Ventilation Effects For this report, the effects of preclosure ventilation on the TH state of the host rock is taken into account by running NUFT V3.0s for 50 yr without backfill, then adding backfill and restarting the code. Preclosure ventilation is not included except to decrease effective thermal output by 70 percent. The drying effects of ventilation on the host rock and precipitation of solutes predominantly in the rock matrix are neglected in this model. The result is that the TH model overpredicts the water and humidity present in the drift environment for the first few tens or hundreds of years after closure. This tends to shorten the time until return of moisture to the environment, and is therefore conservative in conjunction with the assumed environmental conditions that promote corrosion (Assumption 5.1.6). This assumption is used in Section 6.1.4. No further justification of this assumption is required. 5.1.6 Environmental Conditions that Promote Corrosion of Drip Shield and Waste Package The following environmental conditions are assumed to accelerate corrosion rates and accumulation of damage from general, localized, and stress-cracking mechanisms: . Duration of exposure to adverse conditions . Temperature at which adverse chemical conditions occur . Precipitation of salts that provide ions needed for some corrosion processes and that promote aqueous conditions at higher temperatures by osmolality . Alkaline (high-pH) conditions in the bulk chemical environment, which are associated with low CO2 fugacity caused by evaporation that decreases the air mass-fraction . Fluoride, chloride, and sulfate are of principal importance for corrosion of titanium and Alloy-22. This assumption is used in Section 6.1.7. This assumption is to-be-verified (TBV-4475). 5.2 GAS FLUX AND FUGACITY MODEL Following are the assumptions made in estimating chemical boundary conditions for fluxes and fugacities of CO2 and O2 to support modeling of the EBS in-drift chemical environment: 5.2.1 Steady-State Gas-Phase Mass-Transfer Conditions Steady-state conditions are assumed for interpretation of present-day isotopic conditions and mass transfer. Hydrologic conditions have been relatively stable during the Holocene period, which is approximately two half-lives of 14C; thus, any pre-Holocene influence on radiocarbon distribution in the UZ has decayed to 25 percent or less of its maximum magnitude. The observed variations in 14C activity that are interpreted for this model are generally greater than ANL-EBS-MD-000033, REV 00 ICN 1 69 July 2000 25 percent. Also, the amount of 14CO2 present in the UZ is large compared with the potential annual mass transfer; thus, observed data are insensitive to short-term changes in flux. Use of natural 14C abundance to describe gas-phase transport in the UZ is a unique approach to modeling both gas flux and fugacity, which is justified because these measures are uncertain. Results from the 14C approach are compared with other approaches in Section 6.2.6.2. This assumption is used in Section 6.2.3.1 and Section 6.2.3.4. No further justification of this assumption is required. 5.2.2 Vertical, One-Dimensional Gas-Phase Transport One-dimensional vertical transport is assumed for interpretation of present-day conditions and for prediction of repository conditions. One-dimensional liquid flow in the UZ above the potential repository is likely because conditions are unsaturated. Assumption of 1-D transport conditions during repository heating supports lower-bound estimates for CO2 and O2 availability because multidimensional flow produces circulation with mixing and lateral components of mass flux, which increase efficiency of transport into the drifts. Thus this assumption produces conservative, bounding results in conjunction with Assumption 5.1.6. This assumption is used in Section 6.2.3.1 and Section 6.2.1.4. No further justification of this assumption is required. 5.2.3 J-13 Water Composition The composition of water from well J-13 is a chemical analogue for fracture waters in the UZ under ambient conditions (Harrar et al. 1990, p. 21; DTN LL980711104242.054). J-13 well water is found in the same Topopah Spring tuff at similar temperature, oxidizing conditions, and CO2 fugacity. For the analyses reported by Harrar, et al., the nominal bicarbonate alkalinity is 128.9 mg/L, which is converted to a CO2(aq) concentration of 94 mg/L using molecular weights of 61 g and 44 g for bicarbonate and CO2, respectively. This is an approximate value that could vary in response to different values of the CO2 fugacity, temperature, etc. The J-13 value of 94 mg/L of CO2 is assumed for use in a general interpretation of CO2 observations in borehole SD-12 and in developing the 1-D mass-transfer model for gas-phase CO2 transport. Greater concentrations of dissolved inorganic carbon (as CO2) have been inferred for matrix porewaters (DTN: LB991200DSTTHC.001) (TBV-4575) but these would lead to greater gasphase CO2 transport (required to replace 14C decay in the ambient system). Thus the use of J-13 water as a reference composition for interaction with gas-phase CO2 transport is a conservative approximation (i.e. yields lower values of flux and fugacity). This assumption is used in Section 6.2.1.1 and Section 6.2.3.1. No further justification of this assumption is required. 5.2.4 Limited Interaction of CO2 with Solid-Phase Species CO2 interaction with solid-phase carbonates is assumed to be limited. For ambient conditions, this is consistent with a dynamic steady-state whereby: ANL-EBS-MD-000033, REV 00 ICN 1 70 July 2000 . Equilibrium of waters with calcite is maintained throughout the UZ . Gas-phase CO2 concentration tends to be uniform . Mass transfer of CO2 between gas, liquid, and solid phases can occur in response to small changes in solubility produced by evaporation or temperature changes that are limited in magnitude. For thermal conditions, the exsolution of CO2 by evaporating waters and the acquisition of dissolved CO2 by condensate waters are assumed to be compensating processes with respect to the average gas-phase CO2 fugacity in the host rock. In other words, the effects of evaporation or boiling and of mineral and gas dissolution in condensation regions are assumed to involve similar amounts of CO2 and to be localized relative to the spatial scale of gas-phase diffusion, for the time scale of postclosure performance. This argument is supported by the CO2 balance described in Section 6.7. This assumption is used in Section 6.2.1.3. No further justification of this assumption is required. 5.2.5 Representative Fracture Porosity and Aqueous Volume Fraction The depth-averaged volume fractions for fracture porosity and liquid-filled porosity for borehole SD-12 are representative of other boreholes and of the L4C4 Multiscale Model location. This is justified because the stratigraphy is similar across the site area and because the mass-transfer model is relatively insensitive to changes in the gas-volume fraction (fgas) and aqueous-volume fraction (faq) compared with sensitivity to the diffusion-dispersion coefficient Dgas. This assumption is used in Section 6.2.3.3. No further justification of this assumption is required. 5.2.6 Average Temperature of the UZ Average temperature in the UZ for ambient conditions is assumed to be 30°C for calculating a composite partition coefficient for CO2. Estimated temperatures at the ground surface and water table are shown in Table 8. The value of 30°C is an approximation of the ambient UZ temperature. Because temperature in Equation 26 uses absolute temperature, the difference between temperature at the ground surface and water table is insignificant. This assumption is used in Section 6.2.3.1. No further justification of this assumption is required. 5.3 CEMENTITIOUS MATERIALS MODEL 5.3.1 Cement Mineral Assemblage The cement mineral assemblage shown in Table 29 is assumed. This is based on the assemblage for “young” cement grout (Hardin et al. 1998, Table 6-2, p. 6-15) with modification (Assumption 5.3.2 and Assumption 5.3.3). Mineral assemblages representing modification of Portland cement by aging and carbonation are available from the same information source, but they tend to produce less alkaline leachate; thus, young cement minerals are assumed in accordance with Assumption 5.1.6. The effects of aging and carbonation, which may decrease ANL-EBS-MD-000033, REV 00 ICN 1 71 July 2000 the pH and concentrations of key constituents in leachate over time, are neglected in this bounding model. This assumption is used in Section 6.3.1. No further justification of this assumption is required. Table 29. Grout Mineral Assemblage Used for the Cementitious Materials Model Phase Weight % Mass per Rockbolt A (kg) Tobermorite (also representing C-S-H [1.7] gel and gehlenite hydrate) 57.5 13.0 Ettringite 18.0 4.08 Portlandite 21.5 4.87 Brucite 3.0 0.68 NOTE: A Mass of each mineral in the grout used for one rockbolt, including 3´ excess grout use, totaling 22.65 kg per rockbolt per CRWMS M&O 2000a (TBV-3902) 5.3.2 Extent of Carbonation Cement carbonation begins, but is not complete, at the time percolating water contacts the cement grout. Calcite is assumed to represent the solid-phase products of partial carbonation, and a minor amount of calcite is assumed to be present in the grout. This is a conservative assumption (in accordance with Assumption 5.1.6) because it maximizes the pH of leachate. This assumption is used in Sections 6.3.1 and 6.3.6. No further justification of this assumption is required. 5.3.3 Tobermorite Analogue for Other Cement Phases In developing this assemblage in Table 29, the C-S-H gel and gehlenite hydrate phases in young cement are represented by tobermorite, which has better known characteristics and similar elemental composition. This assumption is justified because aging of the cement at elevated temperature during the preclosure period of 50 years or more will cause the C-S-H gel to crystallize, and tobermorite is a likely product. The gehlenite hydrate is a minor phase used to account for aluminum in the assemblage that is not incorporated in ettringite. Thermodynamic solubility data are not available for gehlenite hydrate, so it is represented by tobermorite (instead of ettringite, thereby preserving the ratio between ettringite and portlandite). This assumption is used in Section 6.3.1. No further justification of this assumption is required. 5.3.4 Stability of Cement Phases Ettringite is assumed to be thermally stable over the temperature range predicted for the potential repository near-field host rock (from 25°C to approximately 150°C, with limited water availability above 96°C). This is consistent with assemblages developed for thermally treated concrete (Hardin et al., 1998; Section 7.1.2). Pozzolanic reactions are assumed to consume the silica fume. ANL-EBS-MD-000033, REV 00 ICN 1 72 July 2000 This assumption is used in Section 6.3.1. This assumption is to-be-verified (TBV-4476). 5.3.5 Water-Grout Chemical Reaction Chemical equilibrium is assumed along the cement-water reaction path; thus, equilibrium controls the composition of leachate from the grout. This assumption is suitable for slowly changing low-flux conditions that will be encountered in the grout. Reaction of groundwater with the grout is assumed to be closed with respect to gas-phase constituents, particularly CO2. This is justified because of the following: . The grout will be very fine-grained, and the pore structure will retain capillary water; thus, gas saturation will be small. . The assumed intrinsic permeability is low (also see Assumption 5.3.8). Low permeability confers resistance to diffusion. . The grout column around each rock bolt will be surrounded by the intact rock matrix over much of its length. Exposure of the grout to gas-phase CO2 is thus limited by the surrounding host rock. Flowing water and gas-phase CO2 will most readily access the grout column at fracture intersections. If the grout is near liquid saturation, access by gas-phase CO2 to unreacted grout within the grout column will be limited. If cracks form in the grout from shrinkage or disruption, water and gas will penetrate them. More surface area could become available for diffusion of CO2, but the leachate composition would still be bounded by the closed-system calculations. This assumption is used in Sections 6.3.1 and 6.3.2.1. No further justification of this assumption is required. 5.3.6 Thermodynamic Data for Cementitious Materials Model Chemical dissociation constants for tobermorite and ettringite solids from the “com” database (file: “data0.com”; Attachment I) are assumed to be consistent with the PHREEQC chemical database (file: “wateqcem.txt”; Attachment I). Quantitative verification of thermodynamic data consistency was not performed for this report. This assumption is used in Section 6.3.1. This assumption is to-be-verified (TBV-4477). 5.3.7 Biotic and Organic Processes Biotic and organic processes, including contributions from the presence of superplasticizer and the steel rockbolt, are assumed to have negligible effect on leachate composition for as long as high-pH conditions prevail in the grout; these processes are neglected in this model. Biotic and organic processes will be limited (although not totally eliminated) by the high-pH environment and by the availability of necessary nutrients such as phosphate and organic carbon. The organic ANL-EBS-MD-000033, REV 00 ICN 1 73 July 2000 content in superplasticizer will not be degraded by microbial or other activity at a rate that is great enough to affect leachate composition. This assumption is used in Sections 6.3.2 and 6.3.3. This assumption is to-be-verified (TBV- 4478). 5.3.8 Grout Permeability Saturated permeability is assumed to be 0.1 mdarcy (10–19m2) for all conditions. For initial permeability of the grout (early time), this value is as justified by cited literature (Onofrei et al. 1992, p. 137). As aging and carbonation of the grout proceed over time, permeability is assumed to remain at this value for purposes of calculating leachate composition. Additional water flow may occur through cracks that can form, but such flow will tend to bypass unreacted cement and is neglected for this model. This assumption is used in Sections 6.3.4 and 6.3.8. No further justification of this assumption is required. 5.3.9 Equilibrium with Quartz Sand Calculations described in Section 6.3 show that when leachate emerges from the grout, it is strongly aggressive with respect to dissolution of silica and silicate minerals. For this model, the leachate is assumed to equilibrate chemically with the quartz sand backfill. The importance of this assumption is that silica-buffer activity is obtained (thus, pH is decreased) from dissolution of quartz. This is a reasonable approximation because substantial silica-buffer activity is obtained even if quartz dissolution does not proceed to equilibrium. This assumption is used in Section 6.3.6. No further justification of this assumption is required. 5.4 MICROBIAL EFFECTS MODEL 5.4.1 Electrical Equipment and Removal of Organics Haulage will be electrically driven (i.e., no hydrocarbon fuels will be used in the emplacement drifts). Hydrocarbon-based lubricants and other organic materials will be used in construction equipment but will be recovered from the drift environment prior to waste emplacement. This is justified because it is consistent with currently used methods for exploratory excavation and construction in the potential repository host rock. This assumption is used in Section 6.4.2.2. This assumption is to-be-verified (TBV-4479). 5.4.2 Purity of Backfill and Invert Materials Backfill and invert materials will be washed and contain only trace amounts of organic matter. In addition, backfill material will contain only trace amounts of phosphate. This is justified because washing of granular materials, and sourcing of backfill material with the indicated purity, are within standard engineering practice. ANL-EBS-MD-000033, REV 00 ICN 1 74 July 2000 This assumption is used in Sections 6.4.2.2 and 6.4.6. This assumption is to-be-verified (TBV- 4480). 5.4.3 Organic Carbon Content of Host Rock The organic carbon of the host welded-tuff rock units is negligible as a carbon source to support microbial activity and growth. Inorganic carbon is present, principally in the form of speciated CO2, and is available for microbial utilization. Microbes can utilize the inorganic carbon to produce biomass, which can be a source of organic carbon. Therefore, the presence of a small concentration of organic matter in the host rock (if it exists) is negligible. This assumption is used in Section 6.4.2.2. No further justification of this assumption is required. 5.4.4 Microbial Growth and Activity on Waste-Package Surface Microbial growth and activity on the waste-package surface (Alloy-22) are negligible for humid conditions (not liquid-saturated or dripping), even for RH greater than 90 percent, as long as: . Liquid groundwater (with its endogenous complement of nutrients) has not penetrated the drip shield . Rock dust present on waste-package surfaces does not provide nutrients for microbial growth . Alloy-22 does not provide nutrients such as phosphate which are necessary for growth This assumption is consistent with published information on microbial metabolism, and the microbial ecology in the potential host rock, as discussed in Section 6.4. It is used in Section 6.4.5.1 and 6.4.5.2. No further justification of this assumption is required. 5.4.5 Microbial Effect on Carbon Steel Corrosion Rate Preliminary data, as yet unpublished, suggest an approximate one-order-of-magnitude increase in the corrosion rate for C1020 steel, once moisture returns to the emplacement drifts, due to microbial activity for environmental conditions representative of the potential repository. Carbon steel used for ground support and invert material is assumed to have similar behavior. The technical basis for this assumption is that the average corrosion rate for carbon steel Alloy 1020 was a factor of 6 higher than sterile carbon steel as presented in Table 17. The assumption of an increase of one order of magnitude in the corrosion rate is conservative and requires confirmation. This assumption is used in Sections 6.4.4.1 and 6.4.6. This assumption is to-be-verified (TBV- 4481). ANL-EBS-MD-000033, REV 00 ICN 1 75 July 2000 5.5 NORMATIVE PRECIPITATES AND SALTS MODEL 5.5.1 Portlandite vs. Calcite Laboratory tests were performed, whereby synthetic J-13 water and synthetic porewater were evaporated under atmospheric gas composition conditions. Calcite but not portlandite was detected in the final mineral suites. For low-CO2 conditions that may be encountered in the potential repository during the thermal period, it is assumed that sufficient CO2 will be present to produce thermonatrite (Na2CO3·H2O) and calcite (CaCO3). This approach is justified by the thermodynamic arguments presented in Section 6.5.5.2. However, the thermodynamic argument is approximate, and if this assumption is incorrect, the result could be precipitation of portlandite or sodium hydroxide on the drip-shield surface. This assumption is used in Section 6.5.5. This assumption is to-be-verified (TBV-4482). 5.6 EBS COLLOIDS MODEL 5.6.1 Size Distribution of Ferric Iron Colloids The size distribution of ferric iron colloids is assumed to be identical to the size distributions of natural colloids referenced in this report. The justification for this assumption is that colloids outside the observed range will probably not be transported over long distances, either because they are unstable or because they become attached to the porous media through which the water flows. This assumption is used in Section 6.6.2. No further justification of this assumption is required. 5.6.2 Spherical Particles Spherical colloid particle geometry is assumed for relating colloid frequency and size to the mass of sorbent material. This is a conservative assumption because sorption in the laboratory data is related to mass of sorbent, and mass is maximized in the model by assuming spherical particles consisting entirely of hematite. More sorption leads to greater potential for colloidal transport of radionuclides.. This assumption is used in Section. 6.6.3.3. No further justification of this assumption is required for this bounding analysis. 5.7 CHEMICAL REFERENCE MODEL 5.7.1 Congruent Redissolution and Limited Ionic Strength When liquid water returns to the EBS during the thermal period, there is assumed to be congruent dissolution of precipitates formed by evaporation (i.e., all the different types of precipitates present, dissolve together and are eventually depleted at the same time). The ionic strength of the solution formed by congruent dissolution of precipitates is assumed to be 1 molal. ANL-EBS-MD-000033, REV 00 ICN 1 76 July 2000 Importantly, the activity model used with the EQ3/6 code in these simulations (B-dot equation; Wolery 1992a; Section 3.3, p. 39–42) is generally recognized as suitable only for ionic strengths not exceeding 1 molal. Other activity models can be used with EQ3/6 (e.g., Pitzer equation; Wolery 1992a; Section 3.5, p. 44–64) but data support is lacking for some of the species of interest, especially at elevated temperatures. Accumulation of precipitates and eventual redissolution is sensitive to the spatial and temporal granularity of the model in a manner such that (a) less precipitate mass may accumulate at one time, but (b) elevated temperature and chemically concentrated conditions could persist in the EBS for a longer time than predicted by this model. This assumption does not necessarily lead to a bounding model for chemical performance measures such as pH, but instead produces a reference model (Section 6.7). For example, redissolution could be incongruent, causing a short-duration pulse of high-pH brine, possibly in response to episodic hydrologic conditions. Or, redissolution could be hindered if flow is bypassed through a portion of the EBS, which could lead to long-duration aggressive chemical conditions on part of the drip shield. The 1-molal calculations are used as a reference model for the bulk chemical environment, but modeling chemical conditions on the surface of the drip shield or waste package must consider the presence of salts in the humidity environment. In other words, solution conditions in the potential repository drifts may not be as dilute as the conditions calculated using the reference model, and models of drip shield or waste package corrosion should take this into account. It is noted that if boiling point elevation, due to evaporative concentration of solute, were considered in the TH cases (e.g. through application of a fully coupled thermal-hydrologicchemical modeling approach), that redissolution of salts in the drifts could proceed sooner, or at a faster rate, because of the presence of aqueous conditions. These assumptions are addressed in Sections 6.7.2.3 and 6.7.3.3. No further justification is required for reference model development. 5.7.2 Corrosion of A572 Structural Steel Alloy A572 has been identified for use in ground support and the invert (CRWMS M&O 2000a, TBV-3902). However, long-term controlled test data are not available for A572 steel, and the A516 data are assumed to apply. Corrosion rates for A516 steel were measured for oxic, vaporphase, elevated temperature conditions in proximity to concentrated synthetic J-13 water (Section 4.1.7.7). The tests were performed because alloy A516 was selected as the corrosionallowance waste-package material for the Viability Assessment design. This assumption is justified because the two alloys contain similar amounts of major elements Fe, Mn, and C (ASME 1995; ASTM 1997a). This assumption is used in Section 6.7.4.2. No further justification of this assumption is required. 5.7.3 Humidity Threshold for Corrosion of Structural Steel Steel corrosion is assumed to be insignificant to the EBS bulk chemical environment until the RH exceeds 70 percent. This is consistent with the approach developed to model the Viability ANL-EBS-MD-000033, REV 00 ICN 1 77 July 2000 Assessment waste-package corrosion allowance material (CRWMS M&O 1998b, Section 5.5.3.1, pp. 5-31). This assumption is addressed in Sections 5.7.6 and 6.7.4.2. No further justification of this assumption is required. 5.7.4 Humidity Corrosion of Steel for Low-Water Conditions When RH exceeds the critical threshold for steel corrosion (Assumption 5.7.3) but little or no water is calculated to be present, the aqueous-phase composition is set to the influent water composition. This occurs only in Zone 5/6 for Time Period 3, for which the Time Period 3B influent water composition is used. The result is a lower-bound estimate of the corrosion rate, and corresponding O2 consumption rate. This assumption is used in Section 6.7.4.2. No further justification of this assumption is required. 5.7.5 Effects from Corrosion-Resistant Materials The drip shield, waste package, and pedestal are made from CRMs and stainless steel. Compared with corrosion of the structural steel used in ground support and the invert, corrosion of dripshield, waste-package, and pedestal surfaces is slow to consume oxygen and slow to produce corrosion products. The corrosion products are also dominated by relatively inert metal oxides. Accordingly, corrosion of the CRMs and stainless steel is assumed to have no significant effect on the EBS bulk chemical environment during the 10,000-yr performance period. This assumption is used in Section 6.7.4. Further justification is provided in Section 6.7.6. 6. ANALYSIS/MODEL The overall objective is to evaluate the changes in the bulk environment that can affect dripshield and waste-package degradation, and radionuclide migration. This includes changes in aqueous chemistry resulting from the interaction of heat and introduced materials with heat, and water seeping into the drift, taking into account water fluxes, thermal effects on chemical equilibria and rate processes, and physical processes such as evaporation and condensation. The EBS P&CE model is developed as several models, integrated in a Chemical Reference Model, from which the conditions of the bulk chemical environment are estimated. The results support specification of environmental conditions for corrosion of the drip shield and waste package. Most aspects of the approach are bounding, for example, the selection of a reference TH model for chemical modeling. This set of models supports TSPA conceptually, but it is important to recognize that TSPA incorporates models and data which are beyond the scope of this report (e.g., UZ flow and drift seepage). The models’ output is data intended for use in modeling the performance of the EBS, the waste package, and the waste form. The Yucca Mountain Project developed screening criteria for the grading of data, and determined that the physical and chemical environments on and around the drip shield that is part of the EBS are factors important to the post closure safety case. Further, colloid associated radionuclide transport within the EBS has also been found to be important to the post closure safety case. ANL-EBS-MD-000033, REV 00 ICN 1 78 July 2000 This section begins with a description of TH models representing conditions at the repository center and edge, for “lower” and “upper” infiltration conditions. Next, an analytical Gas Flux and Fugacity Model is developed to describe the transport of gases in the UZ under ambient and thermally perturbed conditions, and the dependence of fugacity on consumption of gaseous species by chemical reactions. This model is used to estimate CO2 and O2 fugacities for chemical modeling. The minerals and salts that could be deposited in the EBS because of seepage or dripping during the thermal period, are identified by the Normative Precipitates and Salts Model, based on laboratory test data. Finally, the TH Model, Gas Flux and Fugacity Model, and Normative Precipitates and Salts Model, are combined in the Chemical Reference Model to produce estimates of the bulk chemical environment. The potential effects of cement used in rockbolts is evaluated in the Cementitious Materials Model, based on chemical equilibrium modeling of cement mineral phases. The potential effects of microbial activity, and the threshold environmental conditions required, are described in the Microbial Effects Model. The potential effects of ferric colloids produced from corrosion of structural steel used in the EBS, are evaluated in the EBS Colloids Model. 6.1 THERMAL HYDROLOGY MODEL The purpose of the TH Model is to support modeling of the in-drift physical and chemical environment. It is intended to provide estimates for temperature, liquid flux, humidity, and concentrations of gas-phase constituents in the EBS. It describes the evolution of these parameters with time during repository thermal evolution and analyzes the potential for evaporative concentration of solutes. This model generates abstracted results for use as input to reaction cell models. The objectives to be met by the TH Model include the following: . Identify the processes and model inputs that control TH performance measures. . Use the active-fracture model for nonequilibrium fracture–matrix interaction, consistent with the unsaturated-zone site-scale hydrologic model to perform TH calculations for representative locations within the repository layout. . Evaluate calculated results and select a TH case for further analysis of the EBS chemical environment. . Develop values of TH performance measures for the thermal period extending to 10,000 yr. All NUFT calculations and postprocessed results described in this subsection pertain to the half-drift symmetry model, unless specified to be full-drift results. Thus, the calculated zone-to-zone fluxes and zone evaporation rates should be doubled to represent full-drift results. For other variables including temperature, saturation, air mass-fraction, and gas-phase vertical mass flux, the half-drift and full-drift results are identical. 6.1.1 Thermal Hydrology Calculations Using NUFT The TH predictive model that forms the basis of these calculations is the NUFT V3.0s code (Nitao 1993). NUFT (Nonisothermal Unsaturated Flow and Transport) has been used to model a ANL-EBS-MD-000033, REV 00 ICN 1 79 July 2000 wide range of problems. It was the basis for simulating waste-package environment conditions for Total System Performance Assessment–Viability Assessment (TSPA-VA) (CRWMS M&O 1998a; Section 3.2) and has also been used for calculations in support of field-scale thermal testing (e.g., calculations reported in Buscheck et al. 1997). The implicit DKM version of NUFT that includes the AFC is used in these calculations. General descriptions of physical principles used in NUFT V3.0s, with references for additional information, are provided in Hardin et al. (1998, Sections 3.3.3, 3.3.4, and 3.3.5). The DKM conceptualizes fractured rock as having two interacting continua, one representing the matrix and the other representing the fracture network. Fluxes of mass and heat between the fracture network and the matrix at each point in the model domain, are calculated from the local temperature and pressure differences. These differences can be nonzero; thus, nonequilibrium conditions can exist at that point. This feature of the DKM allows for more realistic treatment of transient behavior when conditions such as saturation and temperature are changing with time. The AFC is a scheme for dynamic modification of the contact area between the fracture network and the matrix (Liu et al. 1998). The underlying concept is that fracture flow occurs through some, not all, of the fractures at a given location and time. For transient conditions, this tends to produce stronger nonequilibrium response than does assuming that flux is uniformly distributed through all fractures. Flow through a fracture is greater when it has higher saturation, and focusing of flux through a limited population of active fractures tends to maximize the saturation, thereby enhancing fast pathways for flux through the mountain. The hydrologic properties obtained from DTN LB990861233129.001 were developed for the unsaturated-zone site-scale model (herein called the unsaturated zone (UZ) model) using a procedure that assumes they will be applied in DKM employing AFC with the modified Brooks and Corey gas permeability function (Brooks and Corey 1966, Equation 33). That is how they are applied in this model. The TH models developed for this report have the drift volume entirely filled with backfill, which promotes seepage into the drift. Liquid water flow is conducted from the host rock above the drift into the backfill, with little diversion around the drift opening. This condition has the following advantages for analysis: . The magnitude of seepage flow into the drift is readily controlled in the simulations by varying the infiltration flux boundary condition. . Conservative (greater) evaporation rates can be achieved with seepage, which tends to increase the proximity of percolating waters to the hottest parts of the EBS during the thermal period. Production of water vapor causes displacement of air, thus decreasing CO2 fugacity (other factors can cause CO2 fugacity to increase). Decreased CO2 promotes high pH and is conservative with respect to corrosion of EBS components. The TH cases developed for this report use several simplifications, notably the drift is completely filled with backfill (as discussed above), the lower boundary of the model is defined at the water table (instead of some distance below), and a monolithic body is used to represent the drip shield and waste package (instead of discrete regions of the model). These features are ANL-EBS-MD-000033, REV 00 ICN 1 80 July 2000 in contrast to other models, including the Multiscale Thermohydrology Model (CRWMS M&O 2000f), the Drift-Scale Coupled Processes (DST and THC Seepage) Models (CRMWS M&O 2000d), and the Mountain-Scale Coupled Processes (TH) Models (CRWMS M&O 2000j). A limited comparison with these other TH models is provided as follows: . Thermal and hydrologic properties for the rock units are the same for all the models. The same stratigraphic model is used, but the contact elevations depend on location. . The Multiscale Model and the Mountain-Scale Model represent the entire repository layout, either in 2-D cross section, or 3-D. The Drift-Scale THC Seepage Model, and the TH cases developed for this report, represent only one or two representative locations. . The models use the same infiltration flux distribution, and the same variation of flux with climate states that switch at 600 yr and 2,000 yr after emplacement. Infiltration flux varies with location, so the Multiscale Model and Mountain-Scale Model have spatial functions representing flux. The Drift-Scale THC Seepage Model uses the value of the average flux over the entire repository layout, while the TH cases run for this report use the predicted flux at typical center and edge locations. . The other boundary conditions include surface temperature, pressure, and humidity, which are all handled consistently among the different models. The lower, constanttemperature boundarie s of the Multiscale Model and the Mountain-Scale Model are situated 1,000 meters below the water table, with fixed temperature values represented using estimates for the geothermal gradient. The other models use the water table as the lower, constant-temperature boundary. . Gridding is similar for the Multiscale Model, the Drift-Scale THC Seepage Model, and the TH cases developed for this report; the elements that define the drift opening are on the order of a few tens of centimeters in size. Gridding for the Mountain-Scale Model is much more coarse, and the calculated results vary accordingly. It is noted that the Multiscale Thermohydrology Model (CRWMS M&O 2000f) is a set of different types of models, representing different-sized regions of the host rock, and that the foregoing discussion treats the approach as a single model. Specific TH performance measures calculated for the continuum representing the rock matrix are temperature, saturation, relative humidity, and the rate of evaporation. For the continuum representing the fracture network, these same measures and the air mass-fraction were calculated. These measures were reported by NUFT V3.0s as fields (values for each grid block) over the entire model domain for simulation times of 1, 2, 5, 10, 20, 50, 100, 200, 300, 400, 500, 700, 1000, 1500, 2000, 2500, 3000, 4000, 5000, 7000, and 10,000 yr as specified in a NUFT V3.0s input file (outputtime). In addition, reported at these same time steps was a vector field that describes the gas-phase total mass flux (air plus water vapor) in the matrix and fractures combined. The two locations in the potential repository layout, for which TH calculations are performed for this report, are described in Section 4.1.1. The L4C1 location is along the eastern edge of the ANL-EBS-MD-000033, REV 00 ICN 1 81 July 2000 repository layout, and increased drift spacing is used to represent edge cooling effects in a 2-D model. Thus the drift spacing is increased by a factor of 60/36 or 167 percent of the nominal value (1.67 ´ 81 m = 135 m). The model domain width is half the drift spacing because of symmetry. Four NUFT cases are presented in this report, as described in Section 4.1. 6.1.2 Postprocessing NUFT Output The postprocessing steps shown in Figure 1 are used to prepare and simplify NUFT V3.0s output for further analysis. Zone calculations describe the spatial subdomains and the temporal intervals for chemical modeling of reaction cells. Vertical profiles of key variables are used for 1-D modeling of CO2 and O2 gas fluxes. The conservative solute analysis is used to support selection of a location, areal mass loading, and infiltration flux distribution for chemical modeling. 6.1.2.1 Zone Fluxes To capture evaporation and chemical alteration processes taking place in key areas, six zones are defined a priori for the NUFT V3.0s models (Figures 2 and 3). These zones are defined as follows: Zone 0: Far-field host rock—Zone 0 is used as the chemical boundary condition for water composition entering Zone 1 from above. In Zone 0, the composition of percolating water is not significantly affected by evaporation or condensation, but it is affected by elevated temperature. Zone 1: Host rock above the drift mid-plane—Zone 1 extends outward from the drift wall approximately 10 m, which is far enough to encompass the dryout zone. Zone 1 includes that region of the host rock in which boiling and evaporative concentration of waters can occur and through which water can flow into the drift. It also represents the region of the host rock where vapor generated within the drift is likely to condense. Zone 1 is above the drift midplane (the horizontal midplane passing through the drift center). Zone 2: Host rock at the drift wall—Zone 2 comprises the grid blocks that represent the host rock and define the upper half of the drift opening above the springline (intersections of the horizontal midplane with the drift walls). Zone 3: Backfill above the spring line Zone 4: Backfill at the drip shield surface—Zone 4 comprises the grid blocks that represent backfill and define the drip-shield surface above the midplane. Zone 5: Lower backfill—Zone 5 comprises the grid blocks that represent backfill outside the drip shield, below the mid-plane, and above the invert. Zone 6: Invert below the backfill, drip shield, and waste package ANL-EBS-MD-000033, REV 00 ICN 1 82 July 2000 Figure 2. Schematic Drawing Showing the Zones Defined for Chemical Modeling and the Connectivity of the Zones meters meters Figure 3. Representation of Zone Boundaries in the Model Grid, Showing Boundaries Between Zones 1 through 6 ANL-EBS-MD-000033, REV 00 ICN 1 83 July 2000 Zones are declared in the NUFT V3.0s input file (*.in) by assigning unique element names (or naming extensions) to each zone. The syntax used for these calculations is to include the string “*An*” in each element name (“n” is the zone number, and “*” signifies the remainder of the name, which may vary within each zone). A flux history command generates output consisting of the gas and liquid fluxes from one zone to another. The flux output is captured in a set of history files for each NUFT V3.0s model (*Gflux*.dat and *Lflux*.dat). These are used by software routine MYPLOT V1.1, which rearranges the information to produce a summary table of gas and liquid fluxes between zones as a function of time (*.exl). Figure 4 shows the liquid fluxes between zones, for the L4C4 location and “upper” infiltration distribution. Liquid Flux Between Zones - L4C4 "upper" 0.0E+00 5.0E-06 1.0E-05 1.5E-05 100 1000 10000 Time (yr) Zone-to-Zone Flow per Unit Length of Drift (kg/(m-sec) Calc. Flux (Zone 1 to 2) Calc. Flux (Zone 2 to 3) Calc. Flux (Zone 3 to 4) Calc. Flux (Zone 3 to 5) Calc. Flux (Zone 4 to 5) Calc. Flux (Zone 5 to 6) Abstr. Flux (Zone 1 to 2) Abstr. Flux (Zone 2 to 3) Abstr. Flux (Zone 3 to 4) Abstr. Flux (Zone 3 to 5) Abstr. Flux (Zone 4 to 5) Abstr. Flux (Zone 5 to 6) NOTE: The uniform time intervals, used to represent the thermal evolution in chemical reaction cell modeling, are also plotted. Figure 4. Liquid Fluxes Between Zones for the L4C4 Location and the “Upper” Infiltration Distribution The zone fluxes are used in conservative solute calculations and chemical modeling described in this report. They are transferred manually from the MYPLOT V1.1 output file (*.exl) to the TH+GASMODEL routine (file: “th+gasmodel_L4C*-*i-04.xls”; worksheet: Zone fluxes). The MYPLOT V1.1 output file (*.exl) is a table with rows corresponding to all the times evaluated in the NUFT run. Only those rows corresponding to the specific times identified in Section 6.1.1 are transferred. ANL-EBS-MD-000033, REV 00 ICN 1 84 July 2000 6.1.2.2 Zone-Averaged State Variables Zone-averaged scalar variables describe the state of each zone as a function of time. Within each zone, for each time step, the value for each grid block is weighted by its volume according to å å = blocks grid i blocks grid i i v x v x (Eq. 12) where x = zone average of scalar field vi = grid block volume xi = scalar field value This procedure and Equation 12 are implemented in software routine ZONEAVG V1.2, which reads the NUFT V3.0s output file (*.ext) and produces an output file (*.zavg) that contains a table of zone-averaged values for each zone and for each time step listed in Section 6.1.1 and in the NUFT input file (*.in by inclusion of file “outputtime”). Only those scalar variables identified in the NUFT V3.0s input file (*.in) are included in the zone-averaged output. For each NUFT case run, the zone-averaged output for the matrix (*.m.ext.zavg) and the fractures (*.m.ext.zavg) is input to the TH+GASMODEL routine (file: “th+gasmodel_L4C*-*i- 04.xls”, worksheet: Matrix.zavg, and worksheet: Fracture.zavg). The entire contents of the zoneaveraged output files (*.zavg) are transferred to the worksheets. 6.1.2.3 Vertical Mass-Flux Profiles Software routine VFLUXPROF V1.1 sorts the NUFT output (*.ext) and produces an output file (*.vflux) containing the vertical component of the gas-phase total mass flux, along a vertical profile passing through the drift centerline. The structure of the output file is a table with columns corresponding to vertical position (z-index) and rows corresponding to the time steps at which NUFT V3.0s output was generated. A plot of the vertical component of the gas-phase total mass flux for the L4C4 location, “upper” infiltration, and simulation time of 1000 yr, along a vertical profile passing through the drift center, is shown in Figure 5. ANL-EBS-MD-000033, REV 00 ICN 1 85 July 2000 NOTES: Plotted along a vertical profile pass through the drift center for the L4C4 location and the “upper” infiltration distribution in units of kg/(m-sec) Simulation time of 1000 yr Plotted from file “L4C4-LDTH60-1Dds-ui-f.ext” using XTOOL 10.1 Figure 5. Vertical Component of the Gas-Phase Total Mass Flux (Air and Water Vapor) Along a Vertical Profile Passing Through the Drift Center For each NUFT case run, the vertical profile of mass-flux for the matrix (*.m.ext.vflux) and the fractures (*.m.ext.vflux) is input to the TH+GASMODEL routine (file: “th+gasmodel_L4C*-*i- 04.xls”; worksheet: Vertflux). The entire contents of the output files (*.vflux) are transferred to the worksheets. 6.1.3 Summary of NUFT Calculations and Postprocessing 6.1.3.1 Temperature, Saturation, and Air Mass-Fraction Plots of temperature, saturation, and gas-phase air mass-fraction for Zone 4 at the drip-shield surface are shown in Figure 6 through Figure 8. These figures were generated by collecting columns of zone-averaged data values from the TH+GASMODEL routine (file: “th+gasmodel_L4C*-*i-04.xls”; worksheet: Matrix.zavg for saturation, and worksheet: Fracture.zavg for temperature and air mass-fraction). ANL-EBS-MD-000033, REV 00 ICN 1 86 July 2000 Zone 4 Average Temperature (Quartz Sand Backfill)…. 0 50 100 150 200 250 100 1000 10000 Time (yr)…. Temperature (C) l4c1 "lower" l4c1 "upper" l4c4 "lower" l4c4 "upper" NOTES: Backfill at the drip-shield surface Calculated for the L4C1 and L4C4 locations, using the “upper” and “lower” infiltration distributions Figure 6. Average Temperature for Zone 4 Zone 4 Average Saturation (Quartz Sand Backfill)…. 0.00 0.05 0.10 0.15 0.20 0.25 100 1000 10000 Time (yr)…. Saturation l4c1 "lower" l4c1 "upper" l4c4 "lower" l4c4 "upper" NOTES: Backfill at the drip-shield surface Calculated for the L4C1 and L4C4 locations, using the “upper” and “lower” infiltration distributions Figure 7. Average Saturation for Zone 4 ANL-EBS-MD-000033, REV 00 ICN 1 87 July 2000 Zone 4 Average Air Mass-Fraction (Sand Backfill)…. 0.0 0.2 0.4 0.6 0.8 1.0 100 1000 10000 Time (yr)... Air Mass-Fraction l4c1 "lower" l4c1 "upper" l4c4 "lower" l4c4 "upper" NOTES: Backfill at the drip-shield surface This plot compares NUFT output for the L4C1 and L4C4 locations and the “upper” and “lower” infiltration distributions. Figure 8. Average Air Mass-Fraction for Zone 4 as a Function of Time The plots compare results from the four NUFT V3.0s runs generated for this report (i.e., data were taken from each of the four TH+GASMODEL routines). Examination of plots of zoneaveraged data of this type has shown the following: Temperature . Matrix and fracture temperature fields are similar for these calculations and may be used interchangeably. . Cooldown occurs sooner for conditions representing the repository edge. . Low-flux conditions produce greater peak temperatures and slower cooldown because less liquid water is available to evaporate and transfer latent heat. Saturation . The spatial extent of dryout (zero or low liquid saturation) is greater for low-flux conditions. . Water returns to the EBS environment sooner for high-flux conditions and for conditions representing the repository edge. ANL-EBS-MD-000033, REV 00 ICN 1 88 July 2000 . After cooldown, the liquid water saturation in the upper part of the backfill is approximately 10 percent to 20 percent, depending on whether the infiltration distribution is “lower” or “upper.” Air Mass-Fraction Air mass-fraction is calculated by NUFT V3.0s for matrix and fractures at each grid block for each time step (outputtime). The air mass-fraction represents the displacement of air by water vapor from evaporation. At high relative humidity, when the temperature is near the boiling point, the partial pressure of water approaches the total pressure, and the air mass-fraction approaches zero. Evaluation of air mass-fraction calculated data (*.zavg) has shown the following: . Matrix air mass-fraction is smaller, and thus relative humidity is greater, than in the fracture network. This is because of vapor pressure lowering by the capillary potential at partial saturation, which tends to retain water in the matrix. . The minimum air mass-fraction in the drift occurs when the rate of evaporation in the drift is maximal. . The minimum air mass-fraction is approximately 10–3 when thermal output and infiltration (seepage) are maximized, as for the L4C4 location with the “upper” infiltration distribution. 6.1.3.2 Evaporation Rate Evaporation rate is calculated by NUFT V3.0s, using a mass balance on liquid and gas-phase water fluxes, for each grid block at each time step for which output is directed (outputtime) for the matrix and the fractures. Evaporation rate is a scalar field, and a plot of the evaporation rate for the fracture continuum at the L4C4 location with the “upper” infiltration distribution at simulation time of 1000 yr is shown in Figure 9. This model and time step represent the maximum rate of evaporation calculated for the drip shield surface. Total evaporation rate for all zones is computed from the zone-averaged results using å å = zones zone jth in blocks grid j , i j total v } x , 0 { max X (Eq. 13) where Xtotal = total evaporation rate for all zones ANL-EBS-MD-000033, REV 00 ICN 1 89 July 2000 NOTES: The plotted variable is the evaporation rate from the fracture continuum. The color bar gives values for the mass rate of evaporation per unit volume (kg/m 3-sec). Positive values indicate evaporation; negative values indicate condensation. The model grid is plotted for reference. Plotted from file “L4C4-LDTH60-1Dds-ui.f.ext” using XTOOL V10.1. Figure 9. Fracture Evaporation Rate Field for the L4C4 Location with the “Upper” Infiltration Distribution at Simulation Time of 1000 yr j x = zone-averaged evaporation, jth zone, for fractures and matrix combined (sign convention: positive is evaporation) vi, j = volume of the ith grid block in the jth zone Equation 13 is implemented in the TH+GASMODEL routine (file: “th+gasmodel_L4C*-*i- 04.xls”; worksheet: Evap) using zone-averaged variable “qPhChg.water.gas” for both the matrix and fractures (data tabulated in worksheet: Matrix.zavg and worksheet: Fracture.zavg). ANL-EBS-MD-000033, REV 00 ICN 1 90 July 2000 The quantity å zone jth in blocks grid j , i v (Eq. 14) is also calculated for each zone in the TH+GASMODEL routine (file: “th+gasmodel _L4C*-*i- 04.xls”; worksheet: Zone.volume) using NUFT grid block information included in each output file from ZONEAVG V1.2 (*zavg). The total evaporation rates (all zones, fracture and matrix) vs. time are plotted in Figure 10 for all four NUFT models and compared with the repository thermal output vs. time (DTN SN9907T0872799.001; file: “heatTSPA-SR-99184-Ta.xls”) (TBV-3599). Evaporation Power (all zones, matrix+fractures, whole-drift)…. Comparison to Total Waste Heat Output 0.1 1 10 100 1000 100 1000 10000 Time (yr) Power (W/m) Thermal Output l4c4 "upper" l4c4 "lower" l4c1 "upper" l4c1 "lower" NOTES: Compares the L4C1 and L4C4 locations and the “upper” and “lower” infiltration distributions The average thermal output (lineal power loading) is plotted for comparison. Figure 10. Plot of Total Evaporation vs. Time for All Zones, Including Fractures + Matrix Examination of evaporation rate calculations and plots shows the following: . The rate of evaporation in the fracture continuum is greater than that in the matrix at the same locations, during the thermal period, because of vapor pressure lowering. . Evaporation tends to be localized to a narrow zone above the dryout zone, where liquid water from condensation and ambient percolation flows toward the dryout zone under the influence of gravity. The zone of evaporation recedes toward the drip-shield surface as the heat source strength decays with time. ANL-EBS-MD-000033, REV 00 ICN 1 91 July 2000 . For all cases, the rate of evaporation for all zones is much smaller than the total thermal output of the waste packages for the first few hundred years. . For the “upper” infiltration distribution, there is more sustained evaporation (i.e., more total evaporation, with greater duration) that begins sooner for the L4C1 location (repository edge) than for the L4C4 location (center). . The proportion of thermal output that causes evaporation, tends to decrease with time. 6.1.3.3 Gas-Phase Mass Flux The vertical component of total mass flux (air + water vapor) in the gas phase, along a vertical profile passing through the drift center, is plotted in Figure 5 for the L4C4 location, “upper” infiltration distribution, and simulation time of 1000 yr. Mass-flux information is output by NUFT V3.0s (*.ext) and postprocessed by the VFLUXPROF software routine to extract the profile for the vertical component only (*.vlux). Mass flux is positive upward. In addition, a horizontal profile of the vertical component of the gas-phase total mass flux for the L4C4 location and “upper” infiltration is shown in Figure 11, for simulation time of 1000 yr. This plot was produced using XTOOL V10.1 and the NUFT V3.0s output file (L4C4*.ext). ANL-EBS-MD-000033, REV 00 ICN 1 92 July 2000 NOTES: For the L4C4 location and “upper” infiltration distribution Simulation time of 1000 yr The elevation of the profile represented in this plot, corresponds to approx. 392 m depth on Figure 5. Plotted from file “L4C4-LDTH60-1Dds-ui.f.ext” using XTOOL V10.1 Figure 11. Vertical Component of the Gas-Phase Total Mass Flux (Air + Water Vapor) Along a Horizontal Profile Passing through the Drift Center These calculated results and plots show the following: . For the 2-D NUFT V3.0s models used in this report, the gas-phase mass flux is driven by evaporation of water. The excess pressure in the gas phase caused by evaporation causes mass to be expelled from the top of the model domain, where there is a constant pressure boundary. . The maximum upward mass flux during the thermal period occurs in the host rock directly above the drift centerline (along the vertical profile). The maximum does not necessarily occur at the drift wall but may occur several meters within the host rock. . There is a slight circulation, caused by thermally driven buoyant convection, whereby the mass flux is downward in the pillar and upward near the drift at the emplacement ANL-EBS-MD-000033, REV 00 ICN 1 93 July 2000 elevation. The magnitude of the downward flux is much smaller than that of the upward flux. 6.1.4 Representing Thermal-Hydrologic Evolution by Uniform Time Intervals To support chemical-reaction cell modeling, the repository thermal evolution is simplified to a series of intervals during which zone temperatures and fluxes are held constant, as shown in Table 30. Table 30. Intervals During Which Zone Temperatures and Fluxes Are Held Constant Nominal Time Time Interval (yr) (yr) From To 100 50 300 500 300 700 1000 700 1,500 2000 1500 2,500 5000 2500 10,000 The values defining the time intervals are user-defined input in the TH+GASMODEL routine (file: “th+gasmodel _L4C*-*i-04.xls”; worksheet: THmodel). The values for the nominal time are assigned to the time interval without interpolation. Using the TH+GASMODEL software routine (file: “th+gasmodel _L4C*-*i-04.xls”; worksheet: THmodel) values for liquid-phase water flux, the gas-phase water flux, fracture temperature, fracture air mass-fraction, fracture saturation, and matrix saturation are tabulated. The data are linked to other worksheets within the same routine. The assigned time intervals bracket transitions in climate conditions at 600 and 2000 yr, so the effects of those transitions are incorporated at 700 and 2500 yr. Early-time thermal behavior, peak thermal behavior, and cooldown are represented in such a way that the interval values for temperatures and fluxes between zones lie reasonably close to the values calculated directly using NUFT V3.0s (Figure 4). Preclosure (£ 50 yr) TH conditions in the host rock and in the drift are not evaluated because they will be dominated by ventilation. The drying effects of ventilation are not explicitly simulated using the NUFT V3.0s formulation described in this report. The effects of preclosure processes on the composition of mobile waters and the accumulation of precipitates in the host rock fractures and matrix are assumed to be negligible for this report (Assumption 5.1.6). 6.1.5 Mass-Balance Calculation Routine TH+GASMODEL (file: “th+gasmodel _L4C*-*i-04.xls”; worksheet: Thmodel) also includes a mass-balance analysis to verify that zone influxes and outfluxes sum to zero for each time interval. This is done as a check on data transcription and discretization errors. Also, there are small water fluxes in and out of Zones 5 and 6 during the thermal period that were not ANL-EBS-MD-000033, REV 00 ICN 1 94 July 2000 specified to be included in NUFT output (because they could be calculated from the specified output). The routine calculates these small liquid fluxes and includes them in the mass balance. The need for these adjustments to the zone mass fluxes arises from temporal and spatial discretization of the calculated TH data. Mass balance is calculated by adding together all the water liquid and vapor mass fluxes for each zone. The residual values are identified as being liquid fluxes back to the host rock (Zones 1 and 2) or gas fluxes (Zones 3 and 4). Evaporation in the backfill was maximized by assigning residual values to the gas-phase flux from Zones 3 and 4. For Zones 5 and 6, the residual values were assigned to the gas-phase flux for time intervals when the zones are dry and to the liquidphase flux when they are not dry. 6.1.6 Conservative Solute Analysis Using Zone Fluxes The zone-averaged saturations and fluxes between zones are analyzed to gain insight into requirements for chemical modeling. The four calculated TH cases are analyzed to support the basis for choosing one of them for more elaborate analysis of the Chemical Reference Model. A fictive, conservative solute tracer is assumed to be present at a constant concentration (C0 = 1) in water entering Zone 1 from Zone 0 above. The solute is then transported between zones at mass transfer rates that are determined by the liquid-phase concentrations and the liquid flow rates between zones. The approach is applied to the stepwise steady-state, finite-time-interval, zone-averaged descriptions of the liquid mass and to fluxes in and out of each zone. Both gasphase and liquid-phase fluxes are considered so that the effects of evaporation and condensation are considered. For linking solute fluxes between zones, it is necessary to consider the direction of fluxes so that the flux can be associated with the correct source concentration and destination zone. The following are needed for each zone, and each time interval: . Positive liquid influx (or zero flux) from every other zone with a possible flow connection . Total liquid water outflow rate from the zone . Net gas-phase water-vapor flux (can be negative; positive values indicate mass increase) Data preparation for the conservative solute analysis is handled in the TH+GASMODEL routine (file: “th+gasmodel _L4C*-*i-04.xls”; worksheet THmodel). For the liquid influxes to each zone, the algorithm tests the sign of each flux so that it can be assigned to the correct zone-tozone connection. For the liquid outflux from each zone, the appropriate zone-to-zone fluxes are summed. The gas-phase fluxes are copied directly from the mass-balance analyses and include adjustments for discretization errors. ANL-EBS-MD-000033, REV 00 ICN 1 95 July 2000 6.1.6.1 Derivation of Conservative Solute Analysis In the conservative solute analysis for a given zone, when the influent concentration is greater than the outfluent concentrations, the concentration tends to increase; when the outfluent concentration is greater than the influent concentrations, the concentration tends to decrease. Also, in each cell, the concentration tends to be increased by evaporation and decreased by condensation. For a single zone, the rate of change of the concentration is å å - = ¶ ¶ j ik i i j j ji i i q V C C q V 1 t C (Eq. 15) where Ci = concentration in the ith zone qji = inflow rate from the jth zone into the ith zone Cj = concentration in the jth zone Vi = volume of the ith zone qik = outflow rate from the ith zone to the kth zone The summations imply that there can be more than one source of inflow or outflow. This formulation represents the change in concentration during a time interval during which the hydrologic conditions are constant but the solute concentration can vary. The fluxes (qji, qik) and volumes (Vi) are provided from the TH Model calculations for zone-average and zone-flux. The volume, or mass of solvent present in each cell, is invariant during each time interval; therefore, evaporation and condensation fluxes are not considered directly in the mass balance, but they are taken into account in the values used for liquid fluxes. Equation 15 is solved in the SOLUTERK routine (file: “SoluteRKV1.2_*L4C*-*i.mcd”). Equation 15 is written in terms of solute concentrations and volumetric flow rates, but a solution for the concentrations can easily be used to calculate the mass of solute in each zone as a function of time. The conversion is i i i V C m = (Eq. 16) which is used at the end of the routine (vector m) to calculate final solute mass mi for use in analyzing the next time interval; it is also used to convert calculated concentrations to masses (matrix Mm). Volume Vi may be treated as solvent mass (in kg) instead of in volume (in liters) without consequence to the analysis. ANL-EBS-MD-000033, REV 00 ICN 1 96 July 2000 Solution of Equation 15 requires initial concentrations that are based on the final masses from the previous time interval. For the first time interval, initial concentrations are set to zero, which is appropriate for initially dry materials. At the conclusion of each time interval, the solute mass is calculated using Equation 16. At the beginning of each time interval after the first, the initial concentration is calculated from the initial mass and the new volume for each zone. When there is liquid inflow to a zone but the liquid mass or volume in the zone is zero (i.e., complete evaporation), a minimum value for Vi is used to facilitate the solute mass calculation (Vmin). This is appropriate because there is no outflow, and the minimum value is canceled when the new solute mass values are calculated at the end of each time interval. The value for Vmin is selected to be 1 L so that the computed solute concentrations may be interpreted as multiples of the reference concentration (C0). Expanding Equation 15 to represent all possible connections in Zones 1 through 6 (see Figure 3), a system of ordinary differential equations is developed: ( ) ( ) ( ) ( ) ( ) ( ) 6 6 65 60 6 5 56 6 0 06 6 5 6 65 5 5 50 56 54 53 5 4 45 5 3 35 5 0 05 5 4 5 54 4 4 45 43 4 3 34 4 3 5 53 3 4 43 3 3 32 35 34 3 2 23 3 2 2 21 20 23 2 1 12 2 3 32 2 0 02 2 1 2 21 1 1 10 12 1 0 01 1 V C q q V C q V C q t C V C q V C q q q q V C q V C q V C q t C V C q V C q q V C q t C V C q V C q V C q q q V C q t C V C q q q V C q V C q V C q t C V C q V C q q V C q t C + - + = ¶ ¶ + + + + - + + = ¶ ¶ + + - = ¶ ¶ + + + + - = ¶ ¶ + + - + + = ¶ ¶ + + - = ¶ ¶ (Eq. 17) where the notation is consistent with the Ci, qij, Vi notation used for Equation 15. This system is solved for each time interval by the Runge-Kutta method with adaptive step-size control, using the SOLUTERK routine. The Runge-Kutta algorithm is implemented in the intrinsic function “RKadapt” in Mathcad Pro V8. All units in this formulation follow the SI units convention. For each time interval, the inputs are developed using the TH+GASMODEL routine (file: “th+gasmodel-L4C*-*i-04.xls”; worksheet: Thmodel). If liquid volume in a reaction cell is zero, a minimum value is assigned (Vmin = 1). The spreadsheet balances the fluxes and assigns values to liquid fluxes q10, q 05, q 50, q 06, and q 60, which are not calculated by NUFT V3.0s. Where the destination zone has small or zero liquid volume, these balance fluxes are assigned to gas fluxes; otherwise they are liquid fluxes. ANL-EBS-MD-000033, REV 00 ICN 1 97 July 2000 Annotations are provided in the spreadsheet files showing where these small adjustments are made. The input data from routine TH+GASMODEL are transferred manually to routine SOLUTERK. As initial data for the first time interval (50 to 300 yr), the initial masses in all zones are set to zero. In this way, the final masses in each zone after the last time interval can be compared, as a check on the accuracy of the procedure, to the product of the reference concentration (C0) and the final liquid volume for the zone. 6.1.6.2 Results from Conservative Solute Analysis The procedure described in the foregoing section is repeated for each location and infiltration distribution calculated using NUFT V3.0s (locations L4C1 and L4C4; “upper” and “lower” infiltration). The results are plotted as normalized solute concentration vs. time for each zone for the TH cases (Figure 12 through Figure 15). Concentration is normalized to the reference concentration (C0 = 1), except for when a zone is completely dry, when the equivalent concentration is plotted for 1 liter of solvent. All plotted concentrations may therefore be interpreted as multiples of the reference concentration. ANL-EBS-MD-000033, REV 00 ICN 1 98 July 2000 Conservative Solute Accumulation in Zones…. l4c4 location, "upper" infiltration 1.E-02 1.E+00 1.E+02 1.E+04 1.E+06 100 1000 10000 Time (yr)... Normalized Mass Zone 1 Zone 2 Zone 3 Zone 4 Zone 5 Zone 6 Figure 12. Normalized Mass of a Fictive Conservative Solute in Each Zone for Each of Five Time Intervals for the L4C4 Location with the Upper Infiltration Distribution Conservative Solute Accumulation in Zones…. l4c4 location, "lower" infiltration 1.E-02 1.E+00 1.E+02 1.E+04 1.E+06 1.E+08 1.E+10 100 1000 10000 Time (yr)…. Normalized Mass Zone 1 Zone 2 Zone 3 Zone 4 Zone 5 Zone 6 Figure 13. Normalized Mass of a Fictive Conservative Solute in Each Zone for Each of Five Time Intervals for the L4C4 Location with the Lower Infiltration Distribution ANL-EBS-MD-000033, REV 00 ICN 1 99 July 2000 Conservative Solute Accumulation in Zones…. l4c1 location, "upper" infiltration 1.E-02 1.E+00 1.E+02 1.E+04 100 1000 10000 Time (yr) Normalized Mass Zone 1 Zone 2 Zone 3 Zone 4 Zone 5 Zone 6 Figure 14. Normalized Mass of a Fictive Conservative Solute in Each Zone for Each of Five Time Intervals for the L4C1 Location with the Upper Infiltration Distribution Conservative Solute Accumulation in Zones…. l4c1 location, "lower" infiltration 1.E-02 1.E-01 1.E+00 1.E+01 1.E+02 100 1000 10000 Time (yr) Normalized Mass Zone 1 Zone 2 Zone 3 Zone 4 Zone 5 Zone 6 Figure 15. Normalized Mass of a Fictive Conservative Solute in Each Zone for Each of Five Time Intervals for the L4C1 Location with the Lower Infiltration Distribution ANL-EBS-MD-000033, REV 00 ICN 1 100 July 2000 The maxima on these plots represent conditions for which liquid inflow occurred, but there was no liquid outflow (i.e., evaporation was complete); thus, all the solute transported to the zone was accumulated. In the calculation, when liquid returns to such a zone, the solute rapidly disperses; this is equivalent to infinite solubility. Accordingly, while these calculations provide reasonable estimates for potential solute accumulation from evaporation, they underestimate the time for which the accumulated solute mass remains in each zone. For solutes with limited solubility and prograde solubility variation with temperature (e.g., silica), the accumulation could remain for tens of thousands of years. The minima on these plots represent conditions where there is liquid outflow, but at least some of the liquid inflow occurs as condensation. The conservative solute calculations and plots show the following: . When zones have no liquid outflow, substantial accumulation of soluble salts may occur from evaporation (the zones need not be dry for this to occur). . Solute mass on the order of 2 ´ 105 times the solute mass present in 1 kg of reference composition may accumulate in Zone 4 (drip-shield surface; see Figure 12). If chloride is present in the reference water at 7 mg/l (typical for J-13 water), the accumulated mass in the backfill could approach 1.5 kg per meter of drift. . Comparing Figure 12 through Figure 15 with Figure 6, there is the potential for solute to accumulate in the backfill and at the drip-shield surface before these zones have cooled through boiling. Thus, there is the potential for aqueous conditions, caused by osmolality, at temperatures greater than 96°C. . For location L4C1 (repository edge), the potential accumulation of soluble salts is less than at L4C4 (repository center) because there is less heat available for evaporation. The greater effective drift spacing enhances cooling; thus, drifts cool to less than 96°C within approximately 400 to 800 yr, depending on the infiltration flux. When the increased infiltration flux at 600 yr (i.e., representing future climate change) causes greater flux in the drifts, the temperature at the edge is less than or near boiling, whereas the repository center is hotter. . For the L4C4 location with “lower” infiltration (Figure 13), less solute accumulates in Zone 4 because there is less evaporation there, even though temperatures are generally greater than for the “upper” infiltration (Figure 6). This may be an artifact of the solute calculation method and the selection of time intervals. . For the “lower” infiltration results (Figure 13 and Fgure 15), solute concentrations are likely to stabilize at elevated levels (e.g., tenfold) in late-time, even if extreme evaporative solute accumulation does not occur previously. . For the “lower” infiltration results, there is greater potential for solute accumulation in the invert (Zones 5 and 6). This may occur because, for an interval of time, the invert is cooler than the drip shield and receives liquid flux from the upper backfill (Zone 3) and the host rock (Zone 0). ANL-EBS-MD-000033, REV 00 ICN 1 101 July 2000 The principal factors that limit solute accumulation on the drip shield are more rapid cooling (to less than 96°C) and less liquid flux into the drift (i.e., smaller infiltration). These factors are not well correlated because greater flux causes faster cooling, and greater percolation flux in the host rock is more likely to produce drift seepage. It should be noted that NUFT V3.0s, as implemented for this report, does not simulate solute behavior and does not modify liquid boiling temperatures to account for osmotic effects (boiling-point elevation). The effect of solute concentration on boiling point elevation (i.e. vapor pressure decrease) can be represented to first order, using a modified Kelvin equation (Atkins, 1990; Section 7.5, Equation 15a). The effect could be included in a thermal-hydrologic-chemical coupled model simulation, but is not included in the TH cases described above. Inclusion of the effect could lead to increased salt accumulation near the drip shield or waste package, with decreased evaporation farther away. Decreased evaporation would tend to decrease the driving force for gas-phase advection, and increase the mobility of evaporatively concentrated solutions under the influence of gravity or capillary gradients. Also, redissolution of salts in the drifts could proceed sooner, or at a faster rate, because of the presence of aqueous conditions. The presence of aqueous conditions near the waste package, earlier during thermal evolution of the repository, could increase the importance of gamma-radiolysis (which was not addressed in this report). Neglect of vapor pressure lowering and corresponding boiling point elevation probably has little net effect on environmental conditions in the drift as the host rock heats up after closure. However, during cooldown the predicted temperature differences between zones are smaller (comparing average zone temperatures in Table 32), such that a smaller difference in the boiling point could cause evaporatively concentrated waters to contact engineered barrier components at earlier times. The liquid fluxes between zones could differ slightly from those shown in Table 31, but concentrated waters will be scarce in the drift environment because the fluids in question are evaporated by 100- to 1000-fold relative to ambie nt formation waters. Accordingly, the fluxes of evaporatively concentrated fluids, the masses present in the drifts, and the changes in these measures which are attributable to boiling point elevation, will likely be small. 6.1.7 Selection of a Thermal-Hydrologic Model for Chemical Reference Modeling The L4C4 location with the “upper” infiltration distribution is selected as the TH case for chemical modeling of the in-drift environment. This is based on assessment of the TH calculation results, with respect to the assumed environmental conditions that promote corrosion (Assumption 5.1.7): duration of adverse conditions, temperature at which adverse conditions occur, precipitated salts, and alkaline (high-pH) conditions. From discussion of the TH calculations described in this section, the following criteria are found to represent the environmental conditions that promote corrosion: . Accumulation of conservative solute in Zone 4 (Figure 12 through Figure 15) . Temperature at which aqueous conditions occur in Zone 4 (Figure 6) . Duration for which adverse conditions occur at elevated temperature in Zone 4 (Figure 12 through Figure 15and Figure 6 through Figure 8) ANL-EBS-MD-000033, REV 00 ICN 1 102 July 2000 . Proportion of thermal output that produces evaporation, especially during sustained periods when aqueous conditions occur in Zone 4 (Figure 10). The L4C4 location with “upper” infiltration produces conservative estimates if in-drift conditions according to these criteria. This definition of conditions that contribute to corrosion of the drip shields or waste packages, does not include possible effects from boiling point elevation due to evaporative concentration, which include earlier exposure of engineered barriers to evaporatively concentrated waters, and possible effects from gamma-radiolysis. The zoneaveraged fluxes, temperatures, and liquid masses calculated by software routine TH+GASMODEL are shown in Table 31 (file: “th+gasmodel_L4C*-*i-04.xls”; worksheet: THmodel). ANL-EBS-MD-000033, REV 00 ICN 1 103 July 2000 Table 31. Zone-Averaged Temperatures, Liquid and Water Vapor Influxes and Outfluxes, and Liquid Masses for Each Zone (L4C4 Location, “Upper” Infiltration) Time (yr) Liquid Fluxes Between Zones (kg/m-sec) From To Liquid 0 to 1 Liquid 1 to 2 Liquid 2 to 3 Liquid 3 to 4 Liquid 3 to 5 Liquid 4 to 5 Liquid 5 to 6 50 300 3.491E-05 5.493E-12 0.000E+00 0.000E+00 0.000E+00 0.000E+00 0.000E+00 300 700 3.353E-05 3.218E-06 2.510E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 700 1500 6.165E-05 1.026E-05 1.105E-05 4.773E-06 1.039E-06 0.000E+00 0.000E+00 1500 2500 6.103E-05 5.034E-06 5.646E-06 4.575E-06 3.746E-06 1.410E-06 4.678E-06 2500 10000 1.049E-04 8.639E-06 8.684E-06 3.352E-06 5.930E-06 2.717E-06 8.376E-06 Time (yr) Liquid Water Mass (kg/m) From To Zone 0 Zone 1 Zone 2 Zone 3 Zone 4 Zone 5 Zone 6 50 300 7.412E+04 5.612E+01 0.000E+00 0.000E+00 0.000E+00 0.000E+00 300 700 7.855E+04 1.221E+02 2.500E+00 0.000E+00 0.000E+00 0.000E+00 700 1500 8.220E+04 2.184E+02 2.553E+02 0.000E+00 7.242E+00 0.000E+00 1500 2500 8.255E+04 2.207E+02 3.548E+02 3.848E+01 1.479E+02 5.640E+01 2500 10000 8.212E+04 2.207E+02 3.972E+02 4.408E+01 1.617E+02 6.147E+01 Time (yr) Temperature (C) From To Zone 0 Zone 1 Zone 2 Zone 3 Zone 4 Zone 5 Zone 6 50 300 7.364E+01 8.078E+01 1.223E+02 1.570E+02 2.225E+02 1.934E+02 2.076E+02 300 700 8.730E+01 9.003E+01 9.962E+01 1.112E+02 1.346E+02 1.248E+02 1.298E+02 700 1500 8.631E+01 8.840E+01 9.600E+01 9.605E+01 9.972E+01 9.913E+01 1.017E+02 1500 2500 7.821E+01 7.995E+01 8.479E+01 8.675E+01 8.881E+01 8.824E+01 8.905E+01 2500 10000 5.019E+01 5.168E+01 5.456E+01 5.659E+01 6.018E+01 5.869E+01 5.947E+01 Time (yr) Liquid Water Outflux (kg/m-sec; >0 is mass decrease) From To Zone 0 Zone 1 Zone 2 Zone 3 Zone 4 Zone 5 Zone 6 50 300 3.209E-05 2.205E-09 0.000E+00 0.000E+00 0.000E+00 0.000E+00 300 700 3.500E-05 2.515E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 700 1500 6.941E-05 1.105E-05 5.812E-06 0.000E+00 0.000E+00 0.000E+00 1500 2500 6.107E-05 5.646E-06 8.321E-06 1.410E-06 4.813E-06 4.796E-06 2500 10000 1.049E-04 8.684E-06 9.282E-06 2.717E-06 8.583E-06 8.418E-06 Time (yr) Water Vapor Transfer (kg/m-sec; >0 is mass increase) From To Zone 0 Zone 1 Zone 2 Zone 3 Zone 4 Zone 5 Zone 6 50 300 -2.818E-06 2.200E-09 0.000E+00 0.000E+00 0.000E+00 0.000E+00 300 700 1.466E-06 -7.030E-07 -2.510E-06 0.000E+00 0.000E+00 0.000E+00 700 1500 7.762E-06 7.880E-07 -5.238E-06 -4.773E-06 -1.039E-06 0.000E+00 1500 2500 4.214E-08 6.062E-07 2.675E-06 -3.165E-06 -3.427E-07 1.175E-07 2500 10000 8.869E-09 4.402E-08 5.980E-07 -6.350E-07 -6.390E-08 4.208E-08 Source: file: “th+gasmodel_L4C4-ui-04.xls”; worksheet: THmodel (Attachment I) Note : The fluxes between zones is reported in units of kg/(m-sec) and represent integrations of the mass flux across zone boundaries. ANL-EBS-MD-000033, REV 00 ICN 1 104 July 2000 Table 32. Zone-Averaged Temperatures, Liquid and Water Vapor Influxes and Outfluxes, and Liquid Masses for Composite Zones (L4C4 Location, “Upper” Infiltration) Time (yr) From To Liquid Influx (kg/m-sec) Vapor Flux (kg/m-sec) Liquid Mass (kg/m) Liquid Outflux (kg/m-sec) Concentration Factor Temperature (°C) Zone 0 50 300 73.64 300 700 87.3 700 1500 86.31 1500 2500 78.21 2500 10000 (This zone is a compositional boundary condition on Zone 1–2, and zone influx/outflux calculations are not performed.) 50.19 Composite Zone 1–2 50 300 3.491E-05 -2.816E-06 7.417E+04 -3.209E-05 1.088E+00 80.81 300 700 3.353E-05 7.630E-07 7.867E+04 -3.429E-05 9.778E-01 90.05 700 1500 6.165E-05 8.550E-06 8.241E+04 -7.020E-05 8.782E-01 88.42 1500 2500 6.103E-05 6.483E-07 8.277E+04 -6.168E-05 9.895E-01 79.96 2500 10000 1.049E-04 5.289E-08 8.234E+04 -1.050E-04 9.995E-01 51.69 Composite Zone 3–4 50 300 0.000E+00 0.000E+00 0.000E+00 0.000E+00 NA 189.77 300 700 2.510E-06 -2.510E-06 2.500E+00 0.000E+00 NA 111.16 700 1500 1.105E-05 -1.001E-05 2.553E+02 -1.039E-06 1.064E+01 96.05 1500 2500 5.646E-06 -4.900E-07 3.933E+02 -5.156E-06 1.095E+00 86.95 2500 10000 8.684E-06 -3.700E-08 4.412E+02 -8.647E-06 1.004E+00 56.95 Composite Zone 5–6 50 300 0.000E+00 0.000E+00 0.000E+00 0.000E+00 NA 200.53 300 700 0.000E+00 0.000E+00 0.000E+00 0.000E+00 NA 127.29 700 1500 1.039E-06 -1.039E-06 7.242E+00 0.000E+00 NA 99.13 1500 2500 5.156E-06 -2.252E-07 2.043E+02 -4.931E-06 1.046E+00 88.46 2500 10000 8.647E-06 -2.182E-08 2.232E+02 -8.625E-06 1.003E+00 58.90 NOTES: “NA” signifies not applicable, because there is no liquid inflow and/or outflow. Source: file “th+gasmodel-L4C4-ui-04.xls”; worksheet: CHEMprobl4cL4C4upper (Attachment I) These data are further processed in the same routine (worksheet: CHEMprobL4C4upper) to consolidate the zones to expedite the chemical calculations. Zones 1 and 2 represent the host rock above the drift (combined to become Zone 1–2); Zones 3 and 4 represent backfill above the drip shield (Zone 3–4); and Zones 5 and 6 represent backfill and invert materials in the lower part of the drift (Zone 5–6). The results are shown in Table 32. For the consolidation step, fluxes and liquid masses were added, while composite temperatures were calculated using an average weighted by the water mass in each constituent zone. The concentration (or dilution) factor for each composite zone was computed from the ratio of composite vapor flux to composite liquid flux. ANL-EBS-MD-000033, REV 00 ICN 1 105 July 2000 6.1.8 TH Model Validation Validation requires review of model calibration parameters for reasonableness and consistency with all relevant data, the T-H model input parameters are grouped in the following categories: · Hydrologic properties for natural and engineered materials · Thermal properties for natural and engineered materials · Thermal output of emplaced waste · Temperature, total pressure, and infiltration flux boundary conditions · Numerical gridding, convergence criteria, and other model settings The hydrologic properties used for these models are taken directly from the Unsaturated Zone (UZ) Flow and Transport Model (CRWMS M&O 2000e). Thermal properties are based on laboratory-measured data (DTN: LB990861233129.001). It is noted that values for “wet” thermal conductivity are currently under review. Thermal output of the emplaced waste is based on best-available information for the characteristics of spent fuel and defense high-level waste (DTN: SN9907T0872799.001). The temperature and pressure boundary conditions used for these models are based on averages for the ground surface and water table, constrained by measured data. Values for average infiltration flux are also taken directly from the UZ Model, for representative center and edge locations. Alternative infiltration flux boundary conditions are selected from both the “lower” and “upper” infiltration distributions developed for the UZ Model, to represent the range of uncertainty. These alternative values are used comparatively in several cases discussed in this section. The above descriptions indicate that the model calibration parameters are reasonable since they are consistent with values in accepted model. From this discussion, and supporting information published elsewhere (CRWMS M&O 2000f) it is concluded that the TH models used for the TH Model are valid for their intended use. The level of confidence for the model is therefore relatively high. The models are based on appropriate inputs, including properties, boundary conditions, and thermal output. Gridding, convergence, and other model settings used for these models are consistent with past practice. 6.1.9 Alternative Models and Approaches Changes in the TH models are possible to make representation of the waste package, drip shield, backfill, invert, and host rock more detailed and realistic. Possible changes include finer gridding, explicit simulation of the waste package and drip shield (instead of a single body with lumped properties), an air-filled space above the backfill, and spatial heterogeneity in the host rock. For this report, these potential enhancements would not be likely to produce more conservative bounds on TH responses (i.e., more potential for evaporative concentration, and accumulation of precipitates and salts, in the emplacement drifts). ANL-EBS-MD-000033, REV 00 ICN 1 106 July 2000 6.1.10 Summary The TH Model portion of the EBS P&CE Model has evaluated TH processes using four cases implemented with NUFT V3.0s. The TH environmental conditions needed for chemical modeling are evaluated for six zones representing the in-drift environment and the surrounding host rock. Zone-averaged conditions are calculated for five time intervals representing the postclosure period from 50 to 10,000 yr after waste emplacement. There are two primary categories of uncertainties for the TH model: those associated with the EBS and those associated with the natural system. Detail descriptions of the TH model uncertainties are provided in CRWMS M&O (2000f, Section 7.1) Zone fluxes, evaporation, and analysis of the hypothetical migration of a conservative solute were used to choose one case as a conservative representation of TH conditions to carry forward in to a bounding analysis of the chemical environment. This case is the L4C4 location from the multiscale TH Model, with the “upper” infiltration distribution representing uncertainty on present-day hydrologic processes and future climate change. The zone-averaged temperature, liquid masses, and gas- and liquid-phase influxes and outfluxes are specified for three composite zones representing the host rock, backfill, and the lower backfill and invert. Environmental conditions are prescribed for five time intervals spanning the postclosure period to 10,000 yr. In general, it is shown that the model has an appropriate level of confidence suitable for its intended use. The observations and inferences developed from the TH calculations, and the uncertainties identified for this model, are summarized as follows: Temperature . Cooldown occurs sooner for conditions representing the repository edge. . Low-flux conditions produce greater peak temperatures and slower cooldown because less liquid water is available to evaporate and transfer latent heat. Saturation . The spatial extent of dryout (zero or low liquid saturation) is greater for low-flux conditions. . Water returns to the EBS environment sooner for high-flux conditions and for repository-edge conditions. . After cooldown the liquid water saturation in the upper part of the backfill is approximately 10 percent to 20 percent, depending on “lower” or “upper” infiltration conditions. ANL-EBS-MD-000033, REV 00 ICN 1 107 July 2000 Air Mass-Fraction . The minimum air mass-fraction in the drift occurs when the rate of evaporation in the drift is maximal. . The minimum air mass-fraction is approximately 10–3 when thermal output is maximized (i.e. repository center location) and drift seepage is maximized (i.e. upper infiltration distribution) for the selected TH case. Evaporation Rate . Evaporation tends to be localized to a narrow zone above the dryout zone, which recedes toward the drip-shield surface as the heat-source strength decays with time. . The rate of evaporation from all zones is much smaller than the total thermal output of the waste packages for the first few hundred years. At late-time, the proportion of thermal output that causes evaporation decreases for all cases. . For the “upper” infiltration, there is more sustained evaporation than there is for the “lower” infiltration. The peak in evaporation rate occurs sooner for the repository-edge location than for the center. Gas-Phase Mass Flux . For the 2-D NUFT V3.0s models used in this report, the gas-phase mass flux is driven by evaporation of water vapor. . The maximum upward mass flux during the thermal period occurs in the host rock directly above the drift centerline and does not necessarily occur at the drift wall, but may occur several meters within the host rock. . There is a slight circulation whereby the mass flux is downward in the pillar and upward near the drift at the drift elevation. The magnitude of the downward flux is much smaller than the upward flux. Potential for Salt Accumulation . When zones have no liquid outflow, substantial accumulation of soluble salts may occur from evaporation (the zones need not be dry for this to occur). . Solute mass on the order of 2 ´ 105 times the solute mass present in 1 kg of reference composition may accumulate in Zone 4 (drip-shield surface). For example, if chloride is present in the reference water at 7 mg/l (typical for J-13 water), the accumulated mass in the backfill could approach 1.5 kg per meter of drift. . Because of the timing of salt accumulation, there is the potential for aqueous conditions, caused by osmolality, on the drip shield and waste package at temperatures greater than 96°C. ANL-EBS-MD-000033, REV 00 ICN 1 108 July 2000 . For the repository-edge location, the potential accumulation of soluble salts is less than at the center because there is less heat available for evaporation. . For the “lower” infiltration results, there is greater potential for solute accumulation in the invert. Model Uncertainties . Spatial heterogeneity of host rock properties has not been taken into account, so that possible effects such as localized seepage, and low host-rock permeability, are not taken into account in the TH cases evaluated. The cases consider the average response of the host rock. . The effects of boiling point elevation, or vapor pressure lowering, by solute concentration, are not considered. During cooldown when temperatures throughout the EBS vary by only a few degrees, a small difference in boiling point could cause evaporatively concentrated waters to contact engineered barrier components at earlier time. 6.2 GAS FLUX AND FUGACITY MODEL This section develops an analytical model for fugacities of CO2 and O2 in the potential repository during the thermal period. The model provides lower-bound estimates of gas fugacities, using input from TH calculations (Section 3.1.2.1). It is calibrated by means of a unique application of 14C abundance measurements from boreholes at Yucca Mountain. It describes an inverse relationship between fugacity and flux, which can be used to calculate the respective increase or decrease in fugacity that would be associated with a source or sink of CO2 or O2 in the EBS. In the Chemical Reference Model (Section 3.1.2.7) the analytical model is used to constrain CO2 and O2 fugacities. The results are bounding for CO2 in the sense that low CO2 concentration contributes to higher pH, which can promote degradation of engineered materials such as steel or titanium. The approach allows comparison of the calculated rate of CO2 consumption in the EBS, with the flux-fugacity relationship from the model, to evaluate whether in-drift processes are likely to strongly perturb the CO2 fugacity in the host rock and EBS. A similar comparison is made for consumption of O2 by corrosion of structural steel in the EBS. The model development and discussion in this section includes the following elements: . Identify the processes that control the flux and fugacity for CO2 and O2. . Estimate the magnitude of gas-phase mass transfer, applicable to both CO2 and O2 gases, based on mass balance of 14CO2 for ambient conditions. Develop a masstransfer function that can represent gases other than CO2, and modify the function to represent thermal effects. . Develop estimates for CO2 and O2 fugacities in the gas phase and the relationships between flux and fugacity for the thermal period extending to 10,000 years. ANL-EBS-MD-000033, REV 00 ICN 1 109 July 2000 In addition to the analytical mass-transfer model, two alternative models are discussed: (a) the air mass-fraction approach and (b) reactive transport simulation. Each is shown to produce CO2 fugacity values for the thermal period, which are comparable to results from the analytical masstransfer model. 6.2.1 Conceptual Model 6.2.1.1 Background Carbon dioxide can strongly affect pH for solutions present in the emplacement drifts during the thermal and post-thermal periods. The gas-phase CO2 concentration can range over several orders of magnitude, and the associated solution compositions can range from sub-alkaline to pH 11 or greater. Within this range, there are important differences in mineral solubility conditions and corrosion rates for engineered materials. Carbon dioxide is present in the host rock under ambient conditions in three forms: CO2 gas, dissolved carbonate species in fracture and matrix waters, and mineral carbonate solids. Gaseous and aqueous inorganic carbon in the unsaturated host rock are readily available for reactions of interest. Carbonate solids are common secondary minerals at Yucca Mountain and are common in fractures of the host rock. Calcite dissolution and precipitation can occur in response to repository heating and cooldown, but are not considered in this model (Assumption 5.2.4). The following additional aspects of CO2 transport and modeling are important to the Gas Flux and Fugacity Model: . Ideal gas behavior is used to represent the behavior of all gases and mixtures of gases, including water vapor. This approach is common in physical chemistry applications because departures from ideal behavior are small. . Quasi-steady conditions are used to represent repository thermal evolution, whereby the in-drift environment evolves in stages during which temperature and hydrologic conditions are steady. This approach simplifies the analyses and is justified because repository conditions will generally be slowly varying on a time scale of hundreds of years. . Isotopic fractionation associated with dissolution or exsolution of 14CO2 is a small effect, one that is twice the fractionation of 13CO2, which is known to be approximately 1‰ (Fritz and Fontes, 1980, pp. 15 and 477). This corresponds to fractionation of approximately 2‰ for 14CO2, which is a small fraction of the range of radiocarbon abundance in the host rock (typically 30 to 100 pmc). Accordingly, isotopic fractionation of 14CO2 that is associated with dissolution, exsolution, and precipitation reactions is neglected in this discussion. . Because diffusive-dispersive behavior for 12CO2 and 14CO2 is effectively the same, mass-transfer relations developed for 14CO2 can be used to infer the availability of total CO2 (which is made up of mostly 12CO2). This is justified because the mass difference is small (46 vs. 44 g/mol), and the isotopes behave independently as minor constituents of the gas phase. ANL-EBS-MD-000033, REV 00 ICN 1 110 July 2000 . The average ambient 14C signature for CO2 in recharge water or gas (14ain) is 100 pmc (modern, but not nuclear-age). This is based on the long half-life of 14C relative to the nuclear age, such that the majority of 14C in the UZ was naturally produced prior to the nuclear age. In the Topopah Spring welded tuff and above, rapid recharge in fractures (that which exceeds the in situ matrix hydraulic conductivity) penetrates the host rock, with limited isotopic interaction between recharge and matrix porewater. This concept is supported by inspection of measured 14C activity vs. depth for borehole SD-12 (Figure 16). The increase of 14C activity near the bottom of the Topopah Spring welded tuff is associated with a transition from mostly fracture flow to mostly matrix flow in the underlying Calico Hills unit. 14C Measurements from SD-12 0 100 200 300 400 500 600 0 20 40 60 80 100 120 14C Activity (percent modern carbon)…. Depth (m) Gas Samples (GS961108312271.002) Pore Waters (GS961108312271.002) Abstracted Profile Welded Topopah Spring Tuff Inferred Perched Water Table Source: file “gasC14-SD-12-1996dataV1.2.xls “ (Attachment I) Note: Abstracted Profile provided in Section 6.2.3 as User Defined Profile Figure 16. Observed Distribution of 14C Activity with Depth in Borehole SD-12 The model described subsequently separates the CO2 flux transported in rapid vs. slow recharge and neglects any contribution from rapid recharge to the 14CO2 inventory in the host rock. This approach is used to develop lower bounds on gas-phase transport because it minimizes the rapid recharge flux needed to replace 14C decay deep in the UZ, thereby minimizing the need for gasphase transport to penetrate there, thus minimizing the efficacy of the gas-phase transport mechanism predicted by the model. ANL-EBS-MD-000033, REV 00 ICN 1 111 July 2000 6.2.1.2 CO2 Transport Processes Under Ambient Conditions The following discussion is based on observations of 14CO2 for ambient (prerepository) conditions extended to CO2 transport during the thermal period. Gas-phase CO2 transport is produced by three transport processes: . Molecular diffusion–Fickian diffusion along a concentration gradient . Advective-dispersive transport–The gas column in the UZ undergoes volume reduction and expansion in response to episodic changes in barometric pressure at the ground surface. Gas molecules move back and forth essentially in 1-D and disperse in a manner similar to diffusion. Molecular diffusion and advective dispersion are mathematically analogous (Freeze and Cherry 1979, Equation 9.4) and are combined in one mass-transfer coefficient (D) developed for this model. . Convective circulation–Ambient, multidimensional gas-phase convection is driven by long-term (e.g., seasonal) changes in gas density at the ground surface and is associated with variable topography. Convective circula tion has been shown to readily displace air in the Tiva Canyon caprock, but the effect apparently does not extend into the Topopah Spring host rock (Thorstenson 1993). Ambient convective circulation is neglected in this bounding model. CO2 movement in the liquid phase can be produced by two transport processes: . Molecular diffusion–Aqueous diffusion is approximately four orders of magnitude slower in liquids than in gases, and diffusive mobility is restricted because of path tortuosity. For this model, diffusive transport of solute in matrix porewater is limited conceptually to exchange with nearby fractures. . Advective transport—Percolation can occur in the fractures and in the rock matrix. Where the percolation flux substantially exceeds the in situ, unsaturated matrix hydraulic conductivity, percolation flux is mostly through the fractures. Because flow velocity is small in the matrix, tens of thousands of years could be needed for penetration of porewater to repository depth. This is not consistent with borehole 14C measurements that indicate rapid transport. To explain the 14C variation with depth, aqueous and gas-phase transport must occur mostly in fractures. In summary, the important processes for ambient transport of CO2 to the host rock are gas-phase diffusion-dispersion and liquid-phase advective transport. The 14C activity for gas-phase and matrix porewater samples from the same or nearby locations are isotopically similar (comparing Table 12 and Table 13 for the host-rock units, and allowing for data scatter due to sampling uncertainty and spatial heterogeneity). The gas-phase CO2 inventory in the host rock is approximately an order of magnitude smaller than the aqueous-phase inventory dissolved in the matrix porewater; hence, the relatively immobile aqueous-phase inventory dominates the bulk, local isotopic signature. The average isotopic composition that is observed in boreholes represents long-term composition of matrix ANL-EBS-MD-000033, REV 00 ICN 1 112 July 2000 porewater, and the similarity of porewater and pore gas measurements indicates isotopic equilibrium with the gas phase. 6.2.1.3 CO2 Transport Processes During the Thermal Period Warming and evaporation of porewater causes exsolution of dissolved CO2 and changes the partitioning of CO2 between the gaseous and aqueous phases. Further evaporation can cause precipitation of carbonate solids. Changes in chemical conditions (e.g., pH increase associated with evaporative concentration) also affect the partitioning of CO2 between the gas and liquid phases. These effects are limited to a region of the host rock around the drift and are greatly decreased outside the region of evaporation and condensation (Assumption 5.2.4). Gas-phase fugacity is decreased proportionally to the air mass-fraction because of displacement of air by water vapor. Convective circulation in the gas phase can occur because of buoyancy caused by density changes from thermal expansion and increased humidity. Through the combined effects of flow-field geometry, flow resistance from lower-permeability units above and below the host rock, and displacement of air by water vapor, convective activity will be maximal at the repository edges and minimal near the repository center. This type of large-scale convective circulation is neglected as a CO2 transport process for this bounding model, which is consistent with its use for bounding approximations to gas flux and fugacity. 6.2.1.4 Ambient CO2 Concentration in the Unsaturated Zone The ambient concentration of the CO2 in the gas phase of the UZ (CCO2,amb) is 1000 ppm. This is a rough-average value consistent with surface-based borehole data (Table 12). Gas samples from the Exploratory Studies Facility (ESF), or from boreholes drilled from the ESF, are not included in Table 12 because of the potential for contamination by ventilation air. 6.2.2 Background—Oxygen Oxygen gas is more abundant in air than is CO2, but it is less soluble in water. Accordingly, the gas phase is the most important reservoir and transport pathway for O2. Both gases exhibit decreased (retrograde) solubility with increasing temperature. For O2, this is less potentially significant to performance. Oxygen will react with metals such as steel in the repository environment. Tuff mineralogy is mostly oxidized, (e.g., the Fe content is represented by hematite and other oxides), and minerals containing reduced species tend to be armored by oxides and are not accessible. Thus, oxidation of the tuff is slow, and the oxygen concentration in the gas phase in the rock is close to atmospheric composition. 6.2.2.1 Ambient Gas-Phase O2 Concentration in the Unsaturated Zone Measured values for O2 concentration in the UZ gas phase are in the range of 20 percent to 22 percent and are generally indistinguishable from atmospheric values (Drift-Scale Test gas samples, DTN LL980810004244.067). ANL-EBS-MD-000033, REV 00 ICN 1 113 July 2000 6.2.3 Equilibrium Steady-State CO2 Transport in the Unsaturated Zone The CO2 flux delivered to the host rock by natural (prerepository) processes is estimated using a steady-state radiocarbon mass balance from the 14C activity of the carbon found there: ( ) mat 14 14 in gas, 14 in 14 out 14 in 14 aq in aq, 14 mat 14 M m a a a q C 0 dt M d l - + - = = (Eq. 18) where 14Mmat = mass of 14CO2 in the UZ, per square meter area, principally in the matrix porewater (kg/m2) 14Caq,in = concentration of 14CO2 in recharge water (kg/m3) qaq = flux of recharge water (m/sec) 14mgas,in = mass flux of 14CO2 transported in the gas phase (kg/m2-sec–1) l14 = 14C decay constant (3.84 ´ 10–12 sec–1) 14ain = 14C activity for recharge water (pmc) 14aout = 14C activity for effluent water (e.g., to the saturated zone) (pmc) The mass variable 14Mmat is summed over hydrostratigraphic intervals at the location considered å = f = units . hydro i i 14 in , aq i , mat i , mat i mat 14 a C S T M (Eq. 19) where Ti = thickness of ith unit fmat,i = matrix porosity Smat,i = matrix saturation Caq,i = aqueous (porewater) CO2 concentration 14ai = porewater 14C activity Volumetric water content (Tifmat,iSmat,i) is estimated for each interval. Porewater CO2 concentration is estimated based on chemical analyses of porewater samples extracted from samples of drill core. The porewater 14C activity is based on isotopic measurement of gas samples obtained from surface-based boreholes and of porewaters extracted from core samples. For aqueous advection, the total CO2 concentration is proportional to the 14CO2 concentration ANL-EBS-MD-000033, REV 00 ICN 1 114 July 2000 14 i 14 i , aq 14 i , aq a C C g = (Eq. 20) where g14 = 14C:12C abundance ratio at 100 pmc (g14 = 1.21x10–12; Fritz and Fontes 1980, pp. 51– 53). The steady-state aqueous CO2 flux through a stratigraphic interval is determined from the decay rate of 14CO2 in that interval: ( ) in 14 out 14 in 14 14 aq i , aq 14 mat 14 a a a q C M - g = l (Eq. 21) where qaq = steady-state flux through the interval, and ain,aout= 14C activities for influent and effluent water, respectively. Equations 18 through 21 can be applied to the entire UZ or to any intervals of the UZ, such as above vs. below a hydrologic confining unit that acts as a barrier to gas flux but not to aqueous flux. Below such a confining unit, aqueous flux is the predominant source and mechanism for transport and storage, as dissolved inorganic carbon, of 14CO2. Such confinement is inferred in borehole SD-12 immediately below a depth of 397 m (Figure 16) from barometric efficiency observations (Bodvarsson et al. 1997, p. 13-9). The following discussion analyzes the 14CO2 data from this borehole. Mass-balance calculations based on Equations 18 through 21 are implemented in the spreadsheet (file: “gasC14-SD-12- 1996data.xls”). Input data for analysis of 14C data from borehole SD-12 were identified previously, and sources of information are annotated in the associated spreadsheet routine (file: “gasC14-SD-12-1996data.xls”). Mass balance is performed for discrete, user-defined depth intervals, each of which represents one or more hydrostratigraphic units discretely (file: “gasC14-SD-12-1996data.xls”; worksheet: SD-12 stratigraphy). The 14C activity of the gas phase and matrix porewater, and the porewater CO2 concentration, are also represented as user-defined depth profiles for purposes of analysis (Figures 16 and 17, respectively). These are simplified representations of the plotted data (file: “gasC14-SD-12-1996data.xls”; worksheet: gas and porewater C-14). The 14CO2 flux to replace 14C loss to radioactive decay and to maintain steady conditions is calculated using the porewater concentration and 14C activity information (Figure 18; calculated in spreadsheet “gasC14-SD-12-1996dataV1.2.xls”; worksheet: gas and porewater C-14). The 14CO2 flux is expressed in terms of the total mass flux of CO2, given a 14C activity of 100 pmc for the near-surface source. ANL-EBS-MD-000033, REV 00 ICN 1 115 July 2000 0 100 200 300 400 500 600 0 50 100 150 200 Aqueous CO2 Concentration (mg/l) Depth (m) Porewaters (GS970908312271.003) Porewaters (GS961108312271.002) Porewaters (LL990702804244.100) Abstracted Profile Welded Topopah Spring Tuff Inferred Perched Water Table Source: file “gasC14-SD-12-1996dataV1.2.xls “ (Attachment I) NOTE: From borehole SD-12 and in core samples from the Drift-Scale Test heated drift Figure 17. Observed Distribution of Porewater CO2 Concentration in Core Samples The 14C mass balance for the entire UZ (Figure 18) shows that approximately 586 mg/m2-yr of modern carbon (100 pmc) are required to replace 14C decay and maintain the inventory of 14CO2 at steady state (file: “gasC14-SD-12-1996dataV1.2.xls”; worksheet: gas and porewater C-14). This is the total flux of aqueous CO2 that would be required, without considering the throughflux of 14CO2 by recharge flow to the saturated zone (SZ). For the interval below 397 m depth in borehole SD-12, the flux of modern CO2 required to replace 14C decay is approximately 287 mg/m2-yr (file: “gasC14-SD-12-1996dataV1.2.xls”; worksheet: gas and porewater C-14). This flux is predominantly aqueous (i.e., dissolved in percolating waters and not gaseous) because of confining conditions present in the rock below this depth. In addition, the modern CO2 flux must be increased to approximately 478 mg/m2-yr so that the 14C activity for effluent to the SZ is realistic (a value of 40 pmc corresponds to a an apparent groundwater age of approximately 7,000 yr, and is assigned, in the spreadsheet, to the 14C activity of discharge to the SZ). For the interval above 392 m depth in borehole SD-12, the flux of aqueous CO2 required to replace 14C decay is approximately 299 mg CO2/m2-yr (file: “gasC14-SD-12-1996dataV1.2.xls”; worksheet: gas and porewater C-14). Because the total recharge water flux is not enough to transfer this much aqueous CO2 except under extreme infiltration conditions, gas-phase transfer is evident. The required gaseous flux of 14CO2 is calculated using Equation 18, to be 6.9 ´ 10–10 mg 14CO2/m2-yr. Because this estimate does not include mixing with younger carbon, effluent from this interval has a realistic 14C activity when it reaches the SZ. ANL-EBS-MD-000033, REV 00 ICN 1 116 July 2000 Source: file “gasC14-SD-12-1996dataV1.2.xls “ (Attachment I) NOTE: From borehole SD-12 and in core samples from the Drift-Scale Test heated drift Expressed as the flux of aqueous total CO2 containing modern carbon Figure 18. Calculated Flux of 14CO2 Required to Maintain Steady-State Isotopic Conditions in the Unsaturated Zone 6.2.3.1 Gas Transport for Ambient Conditions Murphy (1995) derived an analytical expression for ambient CO2 fugacity and fluxes that is based on the idea that transport occurs in the aqueous phase and the gas phase. The 1-D, steadystate diffusion model assumed that the UZ has uniform properties and that the surface boundary composition is constant. Diffusive behavior was assumed to include both molecular diffusion and advective-dispersive effects. The following discussion modifies this analytical model by addition of an advective term; it then evaluates gas-phase CO2 transport in borehole SD-12. The Flux of Modern CO2 at the Ground Surface, Required to Maintain Steady-State Isotopic Mass Balance in the UZ 0 100 200 300 400 500 600 0 200 400 600 800 Modern Carbon Demand as Total CO2 (mg/yr) Depth (m) Incremental CO2 Flux Integrated CO2 Flux Welded Topopah Spring Tuff Inferred Perched Water Table ANL-EBS-MD-000033, REV 00 ICN 1 117 July 2000 resulting mass transfer relation is used to represent transport of gases into the repository (Assumption 5.2.1 and Assumption 5.2.2). In the discussion that follows, diffusive and analogous dispersive processes are assigned to the gas phase, while advection occurs in the liquid phase in response to percolation. A mass-balance equation taking into account transport and decay of 14C is gas 14 d aq 14 aq 14 aq gas 14 gas bulk 14 bulk 14 14 aq 14 2 gas 14 2 gas gas bulk 14 C K C C C C 0 C z C u z C D t C = f + f = = l - ¶ ¶ - ¶ ¶ f = ¶ ¶ (Eq. 22) where 14Cbulk = bulk concentration of 14CO2 in the UZ (kg/m3) 14Cgas = 14CO2 concentration in the gas phase (kg/m3) 14Caq = 14CO2 concentration in the aqueous phase (kg/m3) Dgas = diffusion-dispersion coefficient for gas-phase 14CO2 transport (m2/sec) faq = volume fraction liquid, predominantly in matrix porewater fgas = volume fraction gas in which diffusive-dispersive transport occurs, predominantly fracture porosity u = liquid flux that is isotopic equilibrium with gas (m/sec), positive downward Kd = dimensionless distribution coefficient for CO2 partitioning between gaseous and aqueous phases Making the necessary substitutions, Equation 22 is linear with constant coefficients and has the characteristic equation 0 ) r r )( r r ( 2 1 = - - (Eq. 23) and the roots that correspond to independent solutions of Equation 22 are ( ) gas gas d liquid gas gas gas 14 d 2 d i D 2 K D 4 K u uK r f f + f f l + ± = (Eq. 24) ANL-EBS-MD-000033, REV 00 ICN 1 118 July 2000 Root r1 is always positive, thus the exponential term proportional to exp(r1z) must be eliminated from the homogeneous solution to ensure that 14Cgas (z) is finite. Root r2 is always negative. Applying the boundary condition 14Cgas (z®0) = g14ainCgas,in yields ( ) ( ) ïþ ïý ü ïî ïí ì ú ú û ù ê ê ë é f f + f f l + - = ïþ ïý ü ïî ïí ì ú ú û ù ê ê ë é f f + f f l + - = gas gas d liquid gas gas gas 14 d 2 d in 14 14 gas gas d liquid gas gas gas 14 d 2 d in , gas in 14 gas 14 D 2 K D 4 K u uK z exp a a D 2 K D 4 K u uK z exp C a g C (Eq. 25) where Cgas,in is the concentration of total carbon (all isotopes) representing the influent or recharge composition. Equation 25 is fit to measured data for 14C activity vs. depth in borehole SD-12 (Figure 19; file: “gasC14-SD-12-1996data.xls”; worksheet: gas and porewater C-14). The spreadsheet routine contains several data manipulations which are necessary to implement Equation 25: . CO2 partitioning between the gas phase and matrix porewater is estimated using the 1000 ppmv CO2 concentration for the gas phase (Section 4.1.2.1) and 94 mg/L CO2 concentration for J-13 well water (Assumption 5.2.3). Converting concentrations to common units (kg/m3) and taking the dimensionless ratio of aqueous to gaseous concentrations yields 53.1 mol kg 0.044 m mol ) RT / P ( m m 10 ppmv 1000 Lm 10 mg kg 10 L mg 94 K 1 3 3 3 6 3 3 1 6 1 d = × = - - - - - - - - (Eq. 26) where P = total pressure (nominally 1 atm = 1.013 ´ 105 Pa) R = gas constant (8.307 Pa m3/K) T = average UZ temperature (303 K) (Assumption 5.2.6) . Gas volume fraction (f gas)–The gas volume fraction in which diffusion occurs is dominated by the fracture porosity, which is estimated using hydrostratigraphic properties (file: “gasC14-SD-12-1996data.xls”; worksheet: SD-12 stratigraphy). Fracture porosity for each hydrostratigraphic unit is obtained from the 1-D drift-scale base-case property set (DTN LB990861233129.001, as implemented in the NUFT input file “dkm_afc-ds-NBS-m_inf”). Because it is small, fracture water saturation is neglected in computing the volume fraction for fracture gas. ANL-EBS-MD-000033, REV 00 ICN 1 119 July 2000 14C Measurements from SD-12 0 100 200 300 400 500 600 0 20 40 60 80 100 120 14C Activity (percent modern carbon) Depth (m) Gas Samples (GS961108312271.002) Pore Waters (GS961108312271.002) Model Profile - Lower Model Profile - Mean Model Profile - Upper Welded Topopah Spring Tuff Inferred Perched Water Table Dgas = 8x10-5 m2/sec Source: file “gasC14-SD-12-1996dataV1.2.xls “ (Attachment I) Figure 19. Exponential Model Fit to 14C Activity vs. Depth in Borehole SD-12 . Liquid volume fraction (f aq)–The aqueous liquid volume is calculated using hydrostratigraphic properties and saturation (file: “gasC14-SD-12-1996data.xls”; worksheet: SD-12 stratigraphy). Matrix porosity for each hydrostratigraphic unit is obtained from the 1-D drift-scale base-case property set (DTN LB990861233129.001, as implemented in the NUFT input file “dkm_afc-ds-NBS-m_inf”). Matrix saturation is visually interpreted for borehole SD-12 from plotted laboratory data (Bodvarsson et al. 1997, Figure 6.4.10) and multiplied by matrix porosity to estimate volumetric water content in abstracted depth intervals. . Diffusion-dispersion coefficient (Dgas)—The diffusion-dispersion coefficient in Equation 25 is calculated from the molecular diffusion coefficient for CO2 in air (Incropera and DeWitt 1996, Table A.8, p. 849). This calculation is implemented in the accompanying spreadsheet (file: “gasC14-SD-12-1996data.xls”; worksheet: gas and porewater C-14) as ANL-EBS-MD-000033, REV 00 ICN 1 120 July 2000 t = 2 CO gas D D (Eq. 27) where DCO2 = Diffusion coefficient for gas in air (1.60 ´ 10–5 m2/sec for CO2 and 2.1 ´ 10–5 m2/sec for O2; at 298 K (Incropera and DeWitt 1996, Table A.8, page 849) t = Tortuosity-dispersion multiplier (t = 5 for SD-12) The use of diffusion coefficients for gases in dry air is consevative, for gas mixtures that will contain water vapor. Diffusion coefficients for CO2 and O2 in H2O vapor (Cussler, 1997; Table 5.1-1) are greater than in air, therefore the values used in this model are conservative (i.e. smaller values, such that smaller gas flux and fugacity values result). In Equation 27, the effect of gas-phase advective-dispersion is represented by a multiplier (t) rather than by an additive term. This is justified because in the conceptual model, molecular diffusion works with oscillatory advection to enhance dispersion. 6.2.3.2 Ambient 14CO2 Transport in Borehole SD-12 Values of Dgas = 0.00008 m2/sec (t = 5) are used in Equation 25 to obtain the model plots shown in Figure 19, for borehole SD-12. The measured data are mostly bracketed by the curves for lower, mean, and upper average infiltration. This value (Dgas) represents the effects of dispersive processes as well as molecular diffusion. As discussed previously, gas-phase transport is required because the ambient percolation flux is insufficient to account for 14C in the UZ by advection of water with composition equivalent to J-13 well water. In other words, if the value of Dgas is set to a small value or zero, the calculated 14C activity throughout the UZ is too low. 6.2.3.3 Comparison with Data from Other Boreholes Equation 25 is also fit to 14C activity data from boreholes UZ-6/6S, UZ-1, NRG-5, and SD-7 in Figure 20, Figure 21, Figure 22, and Figure 23, respectively. The same input data are used, including the average volume fraction air in fractures and the volume fraction liquid (Assumption 5.2.6). For each figure, the value for Dgas is adjusted to improve agreement with the plotted 14C activity data, and the selected value of Dgas is shown. For these other boreholes, the apparent diffusive-dispersive behavior is stronger than it is for SD-12. A value of t = 13 (Dgas = 0.00021 m2/sec) is selected for developing lower-bound estimates of repository gas concentrations and fluxes. Agreement between measured 14C data from the UZ, and the exponential solution (Equation 25) is better at depth (e.g., in the welded host rock units) than closer to the surface. This is probably because the shallower data correspond to the fractured Tiva Canyon caprock at Yucca Mountain, and are more strongly affected by barometric pumping and other mechanisms of mass exchange with the atmosphere. ANL-EBS-MD-000033, REV 00 ICN 1 121 July 2000 6.2.3.4 Gas Transport During the Thermal Period Gas-phase flux of CO2 or O2 is estimated by combining diffusion and advection terms, which correspond to the first two terms on the right-hand side of Equation 22 (Assumption 5.2.1 and Assumption 5.2.2). The approach calculates gas-phase mass flux in response to a sink at the repository horizon, such as would be caused by chemical reactivity, analogous to the effect of radioactive decay in Equation 25. In other words, steady-state consumption by chemical reaction, is analogous to steady-state consumption by radioactive decay within a particular interval. Mass flux is calculated for constant concentration conditions at the ground surface and at the repository level as gas gas gas gas gas gas C v z C D m f - ¶ ¶ f - = (Eq. 28) where mgas = flux of gas-phase reactant (kg/m2×sec) Dgas = gas diffusion coefficient (m2/sec, different for O2 and CO2) v = velocity of gas phase (positive upward, m/sec) and the other notation is similar to that of Equation 22. The gradient ¶Cgas/¶z is calculated from the difference between the gas concentration at the surface and that in the repository. Use of a single value of Dgas in Equation 28 instead of multiple values corresponding to the layered stratigraphy, is analogous to the effective 1-D hydraulic conductivity for a stack of layers with different conductivity values (Freeze and Cherry 1979, Equation 2-31, p. 34). A single, effective mass-transfer coefficient (fgasDgas) exists for which mass transfer is proportional to the overall average concentration gradient. Temperature dependence of the binary gas-diffusion coefficients for CO2 and O2 is found from the relation Dgas µ T1.5 at constant pressure (Incropera and DeWitt 1996, Table A.8, p. 849). The concentrations of CO2 and O2 are important to performance because they affect aqueous reactions, particularly those in which evaporation occurs. Evaporation is maximized for temperatures near boiling; thus the temperature dependence of the gas-diffusion coefficients is calculated at 373°K. Taking (373/298)1.5 = 1.4 shows that diffusion coefficients increase with temperature. The effect will vary with the distribution of temperature in the host rock and is bounded in this model by using the values at 25°C (298°K). Coefficients of binary diffusion for CO2 and O2 gases in water vapor are assumed to be no less than the coefficients in air (Assumption 5.2.5). Calculations show that gas-phase velocity (v) above the drifts tends to be negative during the thermal period because water vapor is convected upward (Section 6.1). Two-dimensional drift-scale TH simulations described in that section show that the gas-phase actually could ANL-EBS-MD-000033, REV 00 ICN 1 122 July 2000 14C Measurements from UZ-6/6S 0 100 200 300 400 500 600 0 20 40 60 80 100 120 14C Activity (percent modern carbon) Depth (m) Gas Samples (GS960208312261.002) Model Profile - Medial Model Profile - Upper Model Profile - Lower Welded Topopah Spring Tuff Source: file “gasC14-SD-12-1996dataV1.2.xls “ (Attachment I) Figure 20. Exponential Model Fit to 14C Activity vs. Depth in Borehole UZ-6/6S circulate in the host rock around the drift openings, which would tend to increase mixing and increase the availability of CO2 and O2 gases in the drifts. Gas velocity varies with depth and location in the host rock; however, for lower-bound estimates of gas flux (mgas), the maximum upward gas velocity in the host rock directly above the drift is used. This velocity is calculated as gas gas gas q v r f = (Eq. 29) ANL-EBS-MD-000033, REV 00 ICN 1 123 July 2000 14C Measurements from UZ-1 0 100 200 300 400 0 20 40 60 80 100 120 14C Activity (percent modern carbon) Depth (m) Gas Samples (GS930508312271.021) Model Profile - Medial Model Profile - Upper Model Profile - Lower Top of Welded Topopah Spring Tuff Source: file “gasC14-UZ-1-1985dataV1.2.xls “ (Attachment I) Figure 21. Exponential Model Fit to 14C Activity vs. Depth in Borehole UZ-1 where qgas is the fracture gas-phase total mass flux in the vertical direction (output from NUFT, positive upward) and rgas is the gas density. The density depends on temperature and composition (output from NUFT) as RT MW P RT MW P MW MW ) 1 ( MW ) 1 ( O 2 H O 2 H air air O 2 H air air air O 2 H air air O 2 H air air air gas = r = r c + c - c = g r g - + r g = r (Eq. 30) ANL-EBS-MD-000033, REV 00 ICN 1 124 July 2000 14C Measurements from NRG-5 0 100 200 300 400 0 20 40 60 80 100 120 14C Activity (percent modern carbon) Depth (m) Gas Samples (GS970283122410.002) Gas Samples (GS941208312261.008) Model Profile - Lower Model Profile - Medial Model Profile - Upper Top of Welded Topopah Spring Tuff Dgas = 10-4 m2/sec Source: file “gasC14-NRG-5-1996dataV1.2.xls “ (Attachment I) Figure 22. Exponential Model Fit to 14C Activity vs. Depth in Borehole NRG-5 where rair, rH2O = densities of dry air and water vapor (kg/m3 ) gair, gH2O = volume fractions for air and water vapor cair = air mass-fraction MWair = equivalent molecular weight of air (kg/mol) MWH2O = molecular weight of water (kg/mol) Concentration Cgas is independent from the air mass-fraction (i.e., absolute concentration is used to compute the gradient in Equation 28). Equations 28 through 30 are combined to yield an expression directly relating the gas flux and concentration, using (Cgas,in – Cgas)/z to represent ¶Cgas /¶z as ANL-EBS-MD-000033, REV 00 ICN 1 125 July 2000 14C Measurements from SD-7 0 100 200 300 400 500 0 20 40 60 80 100 120 14C Activity (percent modern carbon) Depth (m) Gas Samples (GS961108312271.002) Porewater Samples (GS961108312271.002) Model Profile - Lower Model Profile - Medial Model Profile - Upper Welded Topopah Spring Tuff Source: file “gasC14-SD-7-1996dataV1.2.xls “ (Attachment I) Figure 23. Exponential Model Fit to 14C Activity vs. Depth in Borehole SD-7 gas in , gas gas gas gas gas gas in , gas gas gas gas bC aC z D q C z C D m + = ÷ ÷ ø ö ç ç è æ f + r - f = (Eq. 31) For a given concentration (Cgas) Equation 31 gives the associated mass flux (mgas). Where this value is calculated to be less than zero, an upward mass flux would be indicated. For conditions of zero consumption and zero loss from gas-phase advection (mgas = qgas = 0), the concentration at depth equals that at the surface (Cgas = Cgas,in). Equations 28 through 31 are implemented for the L4C4 location with the upper infiltration flux. The L4C4 location is near the geographic center of the potential repository where large-scale bouyant convection in the gas phase is likely to be minimal as discussed in Section 6.2.1.3, and gas-phase composition in the drifts is more likely to be determined by local processes. The upper-range infiltration maximizes the flux of water into the drift and the ensuing evaporation ANL-EBS-MD-000033, REV 00 ICN 1 126 July 2000 and decrease of the air mass-fraction. The selection L4C4 with upper infiltration is discussed in Section 6.1. NUFT output for the L4C4 location with 60 MTU/acre mass loading and upper infiltration is summarized in “.ext” files for fractures (file: “L4C4-LDTH60-li.m.f.ext”) and for the matrix (file: “L4C4-LDTH60-li.m.ext”). The gas-phase mass flux (qgas) in Equation 29 is taken directly from NUFT “.ext” output postprocessed using the VFLUXPROF V1.1 software routine; rgas is calculated from the air mass-fraction (cair) and temperature (T) postprocessed using the ZONEAVG V1.2 software routine. These routines are discussed in Section 3.1.2. For bounding calculations, the maximum values for the gas-phase mass flux (qgas) and temperature (T) are selected along the vertical profile above the drift and passing through the drift center. The minimum value of the air mass-fraction (cair) is taken along this same profile. 6.2.4 Results—Lower-Bound Estimates for CO2 Concentration and Flux Equations 28 through 31 are implemented in the TH+GASMODEL routine (file: “th+gas_model- L4C4-ui-04.xls”; worksheet: Gasmodel) with the results depicted in Figure 24. The maximum value for Cgas, expressed as the ratio Cgas /Cgas,in, is computed by setting mgas = 0. The maximum mass flux is computed by setting Cgas = 0 and qgas = 0 in Equation 31. The CO2 concentration (Cgas) is calculated at different time steps, for various values of the mass flux, expressed as a proportion of the maximum mass flux. The mass-transfer model shows that lower-bound values for CO2 fugacity are in the range of 1 ppmv to 10 ppmv over a wide range of flux (Figure 24). The figure shows that further decrease of CO2 fugacity by consumption in the repository environment would not be substantial until the mass flux ratio (mass flux from consumption, normalized to the maximum flux) exceeds 99 percent. This is a consequence of the functional form of Equation 31. Comparison of the mass-transfer model represented by Equation 31 with the air mass-fraction (cair) estimation approach shows that the mass-transfer model predicts greater minimum fugacities, but is slower to recover during cooldown. The cair estimation approach is most similar to the mass-transfer model with low flux (i.e., low consumption of CO2 in the repository environment). This is expected because the cair approach does not relate fugacity with flux. 6.2.5 Results–Lower-Bound Estimates for O2 Concentration and Flux Estimates for O2 fugacity are also implemented in the TH+GASMODEL routine (file: “th+gas_model-L4C4-ui-04.xls”; worksheet: Gasmodel) and are depicted in Figure 25. The maximum value for Cgas, is expressed as the ratio Cgas/Cgas,in. The O2 concentration (Cgas) is calculated at different time steps, for various values of the mass flux, expressed as a proportion of the maximum mass flux. ANL-EBS-MD-000033, REV 00 ICN 1 127 July 2000 0.00001 0.0001 0.001 0.01 0.1 1 10 100 1000 10000 100000 Time After Emplacement (yr) Ratio of Fugacity to Maximum Mass Flux Ratio = 0.01 Mass Flux Ratio = 0.1 Mass Flux Ratio = 0.2 Mass Flux Ratio = 0.5 Mass Flux Ratio = 0.9 Mass Flux Ratio = 0.99 Drift-Scale Air Mass-Fraction Source: file “th+gas_model-l4c4-ui-04.xls “ (Attachment I) NOTE: Fugacity ratios are normalized to the maximum value at the ground surface. Figure 24. Lower-Bound Ratios of the CO2 Concentration (Fugacity) at Repository Depth The mass-transfer model shows that lower-bound values for O2 fugacity are in the range of 200 ppmv to 2000 ppmv over a wide range of flux (Figure 25). The figure shows that further decrease of CO2 fugacity by consumption in the repository environment would not be substantial until the mass flux ratio (mass flux from consumption, normalized to the maximum flux) exceeds 99 percent. This is a consequence of the functional form of Equation 31. Comparison of the mass-transfer model with the cair estimation approach shows similar behavior to that discussed previously for CO2. The mass-transfer model predicts greater minimum fugacities, but is slower to recover during cooldown. ANL-EBS-MD-000033, REV 00 ICN 1 128 July 2000 0.00001 0.0001 0.001 0.01 0.1 1 10 100 1000 10000 100000 Time After Emplacement (yr) Ratio of Fugacity to Maximum Mass Flux Ratio = 0.01 Mass Flux Ratio = 0.1 Mass Flux Ratio = 0.2 Mass Flux Ratio = 0.5 Mass Flux Ratio = 0.9 Mass Flux Ratio = 0.99 Drift-Scale Air Mass-Fraction Source: file “th+gas_model-l4c4-ui-04.xls “ (Attachment I) NOTE: Fugacity ratios are normalized to the maximum value at the ground surface. Figure 25. Lower-Bound Ratios of the O2 Concentration (Fugacity) at Repository Depth 6.2.6 Summary The flux and fugacity information calculated using the mass-transfer model for the L4C4 multiscale location, and the “upper” infiltration condition, are plotted in Figure 24 and Figure 25 for CO2 and O2 gas, respectively. The results are similar to the air mass-fraction approach (also plotted). The mass-transfer model predicts greater minimum fugacities, but the fugacities are slower to recover during cooldown than they are with the air mass-fraction. This is an approximate model, and the assumptions and limitations are discussed in Section 5.2. In general, it is shown that the model has an appropriate level of confidence suitable for its intended use. This model has associated uncertainties which derive from consideration of alternative models, and from assumptions related to input data and from selections made in model development. Uncertainty is mitigated because this is a bounding model. The greatest uncertainty is probably associated with the assumption of limited CO2 interaction with solid phases during the thermal period. Uncertainties are addressed in the following sections, which include comparison to similar results obtained using alternative methods. The results documented in this report (Figure 24 and Figure 25) show that the advectivedispersive oscillatory barometric pumping process represented by the Dgas parameter in ANL-EBS-MD-000033, REV 00 ICN 1 129 July 2000 Equation 27 is a potentially important mechanism for gas transport in the UZ. Increasing diffusion coefficient values to account for this effect has not been applied in any other models of Yucca Mountain. The effect can disperse heat and water vapor as well as transport gas from the surface, as calculated here. The use of enhanced diffusion coefficients (relative to the molecular diffusion coefficient modified for porosity and tortuosity) can be incorporated in other models (e.g., NUFT V3.0s for thermal-hydrologic-chemical simulations) and tested for ambient (prerepository) conditions by comparison to radiocarbon and other data. 6.2.6.1 Discussion of Conservatism in the Bounding Model The gas-phase CO2 and O2 fugacities and their variation with postulated mass flux (i.e., consumption at depth) as shown in Figures 24 and 25, represent conservative estimates for reactant availability in the drifts because: . Aqueous flux of CO2 as implied by the nonequilibrium nature of 14CO2 transport interpreted for borehole SD-12, is neglected in the model. . One-dimensional transport is assumed, but there are indications from the TH models (Section 6.1) that multidimensional gas-phase occurs even in 2-D “chimney” models. The wider drift spacing associated with the Enhanced Design Alternative (EDA) II design concept (Wilkins and Heath 1999) allows for cooler temperatures in the pillars, which promotes convective circulation. The effects of circulation would include mixing; thus, mass transfer over the entire repository footprint could have a role in controlling gas fugacities in the emplacement drifts. . Retrograde solubility is neglected in the model; hence, the gas-liquid phase partitioning does not change as a function of temperature. With higher temperature, the distribution coefficient Kd decreases, which decreases the effective retardation of gasphase diffusive-dispersive CO2 transport. . Increase of molecular diffusion coefficients with temperature is neglected in the model. 6.2.6.2 Comparison with Alternative Models and Approaches Simulation of Gas-Phase Fluxes for the Viability Assessment Previous mountain-scale TH modeling of the air mass-fraction and the cumulative mass flux of air at the repository horizon showed that gas-phase convective circulation may be limited in the thermal period (CRWMS M&O 1998c). Two demonstrative figures from the TSPA-VA Technical Basis Document are reproduced here as Figure 26 and Figure 27 (CRWMS M&O 1998c, Figure 4-16 and Figure 4-18). These figures summarize model calculations using a 2-D, repository-scale NUFT simulation to represent gas-phase composition and flux for the Viability Assessment (VA) repository design. They are presented here for comparison only; for documentation of these results, the reader is referred to the source document. ANL-EBS-MD-000033, REV 00 ICN 1 130 July 2000 It should be noted that the VA design was intended to have higher peak temperatures and a longer-lasting thermal period than the current conceptual design basis (the “EDA-II” design; see Wilkins and Heath 1999). Ambient CO2 and O2 concentrations (1000 ppmv and 20 percent v/v, respectively) were assumed for the air fraction of the gas-phase (air mass-fraction estimation approach). Thus CO2 fugacity is obtained by multiplying the air mass-fraction (Figure 26) by 1000 ppmv. With this air massfraction approach, the minimum CO2 and O2 fugacity values, which depend directly on the air mass-fraction, can be very small at the repository center (Figure 26). Limited mass flux through the repository center is evident for the time period from approximately 300 to 1000 yr, when the cumulative mass-flux curve for the repository center is flat. Important differences between this air mass-fraction approach and the mass-transfer model previously described (e.g., Equation 31) include: . Natural advective-dispersive mass-transfer processes that operate in the UZ were not taken into account in the TSPA-VA approach . Large-scale, thermally driven gas-phase convection is not taken into account in this report For both approaches, there is a time period during which evaporation is active and CO2 and O2 fugacity values are predicted to be small (e.g., less than 1 percent of ambient values). ANL-EBS-MD-000033, REV 00 ICN 1 131 July 2000 Source: CRWMS M&O 1998b, Figure 4-16 Figure 26. Evolution of Air Mass-Fraction Calculated for Repository Center and Edge Locations, for the Viability Assessment Repository Design Source: CRWMS M&O 1998b, Figure 4-18 Figure 27. Cumulative Air Flux Flowing Through the Repository Horizon, Calculated for Repository Center and Edge Locations for the Viability Assessment Repository Design ANL-EBS-MD-000033, REV 00 ICN 1 132 July 2000 Air Mass-Fraction Analysis of TH Models The approach used for TSPA-VA can be applied to the TH results calculated using the model described in Section 6.1. This is accomplished by determining the flux of gas through the drift, multiplying the gas-phase mass flux by the drift diameter (5.5 m). The result is multiplied by the air mass-fraction in the drift, and the reference concentration of CO2 or O2 in the air fraction (1000 ppmv and 0.2, respectively). The results for both CO2 and O2 are plotted in Figure 28. The figure shows that the air massfraction approach (based on the 2-D models described in Section 6.1) is comparable to the masstransfer model (e.g., Equation 31). One potentially important difference is that the air massfraction approach causes transport to diminish as cooldown progresses, whereas the mass transfer model indicates that gas flux can continue beyond the thermal period. Multicomponent Reactive-Transport Simulation Coupled reactive transport simulations couple TH with transport of chemical components, mass balance of components, chemical speciation and heterogeneous reactions, and rate-dependent reactions. Two simulations of this type for the potential repository host rock, including the emplacement drifts, are discussed here (CRWMS M&O 2000d). Gas-phase chemistry is an appropriate measure for comparison of chemical models because the pH and mineral precipitation depend strongly on the CO2 fugacity. Host-rock water composition and CO2 fugacity values were calculated, for several different assumptions on the infiltration flux magnitude, in this series of drift-scale reactive transport simulations. Results for the “upper” infiltration distribution (CRWMS M&O 2000d) are shown in Figure 29. Two cases are discussed here: Case 1 includes representative clay and zeolite minerals in addition to silica and calcite, and Case 2 includes only silica and calcite. The CO2 fugacity at the drift wall as a function of time, calculated from reactive transport, the air mass-fraction approach, and the 1-D mass-transfer approach, is shown in Figure 29. The air mass-fraction and mass-transfer approaches are discussed in more detail in later sections of this report. The CO2 fugacity from reactive transport simulations is reported at the drift crown, which is the highest point on the drift wall directly above the DS. For all three modeling approaches considered, the values are generally within a factor of approximately 30 during the thermal period. At late time, the reactive transport simulations show increased CO2 fugacity as the air mass-fraction increases and as the gaseous CO2 liberated during heating returns to the drift environment. The other approaches effectively require that the CO2 released by heating, is dissipated before cooldown. ANL-EBS-MD-000033, REV 00 ICN 1 133 July 2000 Cumulative Gas Flux - Model Comparison 1.E-02 1.E+00 1.E+02 1.E+04 1.E+06 1.E+08 10 100 1000 10000 100000 Time After Emplacement (yr) Cumulative Flux (kg/m) CO2 - TH Gas Flux Method CO2 - 1-D Mass Transfer Model O2 - TH Gas Flux Method O2 - 1-D Mass Transfer Model R e q u i r e d f o r C o m p l e t e C o r r o s i o n o f E B S C a r b o n S t e e l Figure 28. Comparison of the 2-D Air Mass-Fraction Approach to Estimating the Available Fluxes of CO2 and O2, With the Mass Transfer Model (L4C4 Location; “Upper” Infiltration) The reactive transport simulations are subject to ionic strength limitations that also exist for other approaches to chemical modeling. The chemical activity models (e.g., B-dot model; Section 6.7) can be used for ionic strength values up to approximately 1 molal. When evaporative concentration causes solution ionic strength to exceed this limit, approximations are used to represent chemical conditions. In the reactive transport simulations, chemical speciation and dissolution/precipitation reactions are suspended when the ionic strength limit is reached and until dilution by water returning during cooldown. The extreme values for CO2 fugacity occur during this period of approximation. An advantage of the reactive transport approach is the integration of chemical processes, with spatial and temporal resolution limited only by the model design. Disadvantages include computational effort, the representation of the host rock and simulation of engineered barriers using only a few chemical species and precipitates, and restricted flexibility in handling ionic-strength limitations. Simulations of this type will be incorporated in this model as applicable calculations become available. 6.2.6.3 Gas Flux and Fugacity Model Validation Analytical solutions are developed to describe the variation of 14C activity with depth in the gas phase. These models are extended, to describe the transport of CO2 and O2 gases in the UZ during the thermal period in response to chemical sources or sinks at depth. Bounding values are used for most parameters of these models, in the sense that the values tend to minimize the ANL-EBS-MD-000033, REV 00 ICN 1 134 July 2000 fugacity of CO2 and O2 gases during the thermal period, or any other time when these constituents are being consumed in the drift environment. One parameter, the diffusiondispersion parameter that controls gas-phase transport, is calibrated to field data from borehole SD-12. The results show that 14C observations can be represented by an envelope of curves corresponding to uncertainty in the infiltration flux (Figures 19 through 23). The model is also applied to four other boreholes in the same manner. The same bounding parameter values are used to approximate the other boreholes, and the diffusion-dispersion parameter is fitted for each borehole. The results show that the fitted parameter has a greater value (more transport) in the other boreholes. A representative value of the diffusion-dispersion parameter is selected for use in gas flux and fugacity calculations. The 1-D analytical solution includes multiple bounding approximations. It is based on bounding inputs as shown by checking against 14C data from four other boreholes in addition to SD-12. The bounding nature of the model results for gas flux and fugacity is also shown by comparison to the air mass-fraction method, and comparison to results from reactive transport simulations. 0.00001 0.0001 0.001 0.01 0.1 1 10 100 10 100 1000 10000 100000 Time After Emplacement (yr) Mole Fraction CO2 at Drift Crown Normalized to 1000 ppmv Case 1 (Full Chemical Problem Statement) with 'Upper' Infiltration Case 2 (SiO2 & Calcite Solid Phases Only) with 'Upper' Infiltration EBS Model (Flux = 0.01 of Max. Value) with 'Upper' Infiltration EBS Model (Flux = 0.1 of Max. Value) with 'Upper' Infiltration EBS Air Mass Fraction - 'Upper' Infiltration Notes: Reactive transport calculations are taken from files: “case1_15.xls” and “case2_15.xls” of reference: CRWMS M&O (2000d). Results from the Gas Flux and Fugacity Model are those described in this report. Figure 29. Comparison of Reactive Transport Simulation of CO2 Fugacity, with Results from the Gas Flux and Fugacity Model ANL-EBS-MD-000033, REV 00 ICN 1 135 July 2000 6.3 CEMENTITIOUS MATERIALS MODEL The Cementitious Materials Model is used to develop bounding estimates for potential chemical effects from percolating water that contacts grouted rockbolts in the repository and for interaction of that water with quartz-sand backfill and gas-phase CO2. Interaction with quartz is modeled instead of interaction with tuff, because the tuff contains more soluble and reactive silica polymorphs (e.g. cristobalite), and would be likely to buffer the leachate composition more readily than quartz. Therefore the model approach is conservative with respect to silica buffering. Interaction with quartz is modeled as an equilibrium process, the basis for which is documented in Section 6.7.2.3. Grouted rockbolts are planned for use in the portion of the potential repository that is constructed in the middle nonlithophysal tuff (CRWMS M&O 2000a) (TBV-3902). No other use of cementitious material in the repository is addressed by this model. When contacted by water, cement can yield high pH and anions such as sulfate. However, only a portion of the potential seepage flow into repository drifts would be affected by cement, and the effects will be moderated and diluted downstream. This model provides the source function representing the volume of affected water, and the inventory of chemical constituents, from cement-water interaction. Following are the specific objectives for this model: . Describe the mineralogy of the specified cementitious grout and its evolution over time. . Describe the composition of water before contacting the grout. . Develop conservative estimates for the composition of water contacting grout, emphasizing pH and concentrations for anions such as sulfate. . Evaluate equilibration of cement-influenced water with backfill and gas-phase CO2. . Develop conservative estimates for flow rate of affected water into the drift. The Cementitious Materials Model does not address mixing of cement-affected waters with seepage in the drift, nor does it address the effects of heating on flow in the host rock. Mixing is ignored because the composition of equilibrated leachate is similar to water composition calculated for the Chemical Reference Model. The effects of heating on flow are considered in Section 6.1, and the resulting fluxes are used in the Cementitious Materials Model to estimate the flux of water that could interact with cement. 6.3.1 Grout Description and Evolution The mineralogy of the grout determines how it reacts with groundwater. The mineralogy of cement grout (Table 29) is represented by portlandite, ettringite, tobermorite, and brucite (Assumption 5.3.1 and Assumption 5.3.3). Portlandite and brucite are represented in the PHREEQC chemical database (file: “wateqcem.txt”; Attachment I). Chemical data for ettringite and tobermorite were obtained from other sources and combined with the PHREEQC database (Assumption 5.3.6). ANL-EBS-MD-000033, REV 00 ICN 1 136 July 2000 To simulate the effects of partial carbonation, calcite is included in the mineral assemblage as an equilibrium phase in the PHREEQC calculations (Assumption 5.3.2). Only the presence, not the amount, of calcite is specified. Carbonation does not proceed to completion in this model (i.e., not all portlandite is converted to calcite, and both phases are present) (Assumption 5.3.2). Precipitation of calcite occurs when the leachate is exposed to fixed CO2 fugactiy, representing the drift atmosphere. The aging of cement grout is simulated by progressive leaching or dissolution of mineral phases in proportion to their equilibrium solubilities (Assumption 5.3.5). Accordingly, the calculations described subsequently show that for the mineral assemblage and environmental conditions considered, the solubilities of portlandite and ettringite cause them to be leached before tobermorite, brucite, and calcite and to be completely leached. These phases (particularly ettringite) are assumed to be stable for the temperatures, moisture conditions, and time periods considered in this model (Assumption 5.3.4). 6.3.2 Temperature and PCO2 Sensitivity Calculations performed for this report and described in the following sections show that leachate composition will differ strongly from the influent fracture-water composition for at least several thousand years. Leachate composition will be affected until the dissolving phases are exhausted; therefore, changes in solution composition during this period will be caused primarily by temperature and PCO2 effects rather than by mineralogical changes. Accordingly, a sensitivity study was undertaken to characterize the effects of temperature and PCO2 on the mineral assemblage. These calculations are limited to thermodynamic modeling of inorganic, abiotic processes (Assumption 5.3.7). 6.3.2.1 The PHREEQC code Required PHREEQC input includes parameters that control the availability of CO2. Different CO2 conditions were used to represent formation of leachate within the grout column and reaction of the leachate with the environment outside the grout column: . Grout system closed with respect to CO2 (i.e., the CO2 available within the grout column is that dissolved in the influent water) to represent the maximum leachate pH from contact with cement . Leachate and quartz-sand system open with respect to CO2 (i.e., fugacity is held constant so that no reaction extent is limited by the availability of CO2) to represent interactions in the drift In the closed-system calculation, CO2 is restricted from diffusing into the grout either as aqueous or gas-phase diffusion (Assumption 5.3.5), and carbonation reactions are reactant-limited. As the closed system is reacted in the model, fugacity decreases with reaction progress; in the open calculation, the CO2 fugacity is constant. To determine the sensitivity of solution chemistry to variable temperature and PCO2, PHREEQC simulations were performed for temperatures of 30, 50, 70, and 90°C using the closed-system CO2 condition with initial PCO2 values of 9.52, 952, and 9520 ppmv. These PCO2 values represent ANL-EBS-MD-000033, REV 00 ICN 1 137 July 2000 a range of conditions that could occur in the host rock; they are arbitrary values generated by selecting values of 10, 1,000, and 10,000 ppmv and correcting them for the air mass-fraction at ambient RH conditions. The results are summarized in Table 33 through Table 36. Table 33. Calculated Composition of Leachate from Partially Carbonated Grout Assemblage at T = 30°C and Several Values of PCO2 Grout Leachate Equilibrated with Backfill for Several Values of PCO2 Element or Species Initial J-13 Groundwater (mol/kg) J-13 Water Equilibrated with Grout (mol/kg) 9.5 ppmv A (Values in mol/kg) 952 ppmv B (Values in mol/kg) 9520 ppmv C (Values in mol/kg) Al 0.0 2.134E-04 2.133E-04 2.133E-04 2.133E-04 C (as HCO3) 2.11E-03 6.660E-06 3.892E-04 1.525E-03 3.485E-03 Ca 3.24E-04 1.830E-02 1.154E-04 6.060E-04 1.448E-03 Cl 2.02E-04 2.014E-04 2.014E-04 2.014E-04 2.014E-04 F 1.15E-04 1.148E-04 1.147E-04 1.147E-04 1.147E-04 K 1.29E-04 1.289E-04 1.289E-04 1.289E-04 1.289E-04 Mg 8.27E-05 1.352E-07 1.351E-07 1.351E-07 1.351E-07 N03 3.19E-05 3.194E-05 3.193E-05 3.193E-05 3.193E-05 Na 1.99E-03 1.993E-03 1.992E-03 1.992E-03 1.992E-03 SO4 1.92E-04 5.117E-04 5.115E-04 5.115E-04 5.115E-04 Si 1.02E-03 3.954E-15 1.773E-04 1.258E-04 1.239E-04 pH 7.41 12.286 9.371 8.012 7.336 Portlandite dissolved (mol/kg solvent) 2.029E-02 Ettringite dissolved (mol/kg solvent) 1.067E-04 Quartz dissolved (mol/kg solvent) 0.0 1.773E-04 1.259E-04 1.239E-04 Calcite precipitated (mol/kg solvent) 2.106E-03 1.819E-02 1.770E-02 1.685E-02 NOTES: A Input file “grout301.txt “; output file “grout301.out” (Attachment I) B Input file “grout302.txt”; output file “grout302.out” (Attachment I) C Input file “grout303.txt”; output file “grout303.out” (Attachment I) ANL-EBS-MD-000033, REV 00 ICN 1 138 July 2000 Table 34. Calculated Composition of Leachate from Young, Partially Carbonated Grout Assemblage at T = 50°C and Several Values of PCO2 Grout Leachate Equilibrated with Backfill for Several Values of PCO2 Element or Species Initial J-13 Groundwater (mol/kg) J-13 Water Equilibrated with Grout (mol/kg) 9.5 ppmv A (Values in mol/kg) 952 ppmv B (Values in mol/kg) 9520 ppmv C (Values in mol/kg) Al 0.0 9.587E-04 9.584E-04 9.584E-04 9.584E-04 HCO3 2.11E-03 7.764E-06 7.886E-05 6.611E-04 1.966E-03 Ca 3.24E-04 1.496E-02 1.416E-03 1.656E-03 2.214E-03 Cl 2.02E-04 2.014E-04 2.013E-04 2.013E-04 2.013E-04 F 1.15E-04 1.147E-04 1.147E-04 1.147E-04 1.147E-04 K 1.29E-04 1.289E-04 1.289E-04 1.289E-04 1.289E-04 Mg 8.27E-05 1.998E-07 1.997E-07 1.997E-07 1.997E-07 N03 3.19E-05 3.193E-05 3.192E-05 3.192E-05 3.193E-05 Na 1.99E-03 1.992E-03 1.992E-03 1.992E-03 1.992E-03 SO4 1.92E-04 1.630E-03 1.629E-03 1.629E-03 1.629E-03 Si 1.02E-03 5.849E-15 2.777E-04 2.328E-04 2.294E-04 pH 7.41 11.616 8.803 7.771 7.214 Portlandite dissolved (mol/kg solvent) 1.472E-02 Ettringite dissolved (mol/kg solvent) 4.795E-04 Quartz dissolved (mol/kg solvent) 0.0 2.779E-04 2.330E-04 2.295E-04 Calcite precipitated (mol/kg solvent) 2.105E-03 1.355E-02 1.331E-02 1.275E-02 NOTES: A Input file “grout501.txt”; output file “grout501.out” (Attachment I) B Input file “grout502.txt”; output file “grout502.out” (Attachment I) C Input file “grout503.txt”; output file “grout503.out” (Attachment I) C Input file “grout503.txt”; output file “grout503.out” (Attachment I) ANL-EBS-MD-000033, REV 00 ICN 1 139 July 2000 Table 35. Calculated Composition of Leachate from Young, Partially Carbonated Grout Assemblage at T = 70°C and Several Values of PCO2 Grout Leachate Equilibrated with Backfill for Several Values of PCO2 Element or Species Initial J-13 Groundwater (mol/kg) J-13 Water Equilibrated with Grout (mol/kg) 9.5 ppmv A (Values in mol/kg) 952 ppmv B (Values in mol/kg) 9520 ppmv C (Values in mol/kg) Al 0.0 3.118E-03 3.117E-03 3.117E-03 3.118E-03 HCO3 2.11E-03 8.829E-06 3.618E-05 2.886E-04 9.718E-04 Ca 3.24E-04 1.561E-02 5.732E-03 5.785E-03 6.042E-03 Cl 2.02E-04 2.013E-04 2.013E-04 2.013E-04 2.013E-04 F 1.15E-04 1.147E-04 1.147E-04 1.147E-04 1.147E-04 K 1.29E-04 1.288E-04 1.288E-04 1.288E-04 1.288E-04 Mg 8.27E-05 2.977E-07 2.977E-07 2.977E-07 2.977E-07 N03 3.19E-05 3.192E-05 3.191E-05 3.191E-05 3.191E-05 Na 1.99E-03 1.991E-03 1.991E-03 1.991E-03 1.991E-03 SO4 1.92E-04 4.868E-03 4.868E-03 4.868E-03 4.868E-03 Si 1.02E-03 7.912E-15 4.657E-004 3.993E-04 3.942E-04 pH 7.41 11.019 8.522 7.520 7.012 Portlandite dissolved (mol/kg solvent) 8.886E-03 Ettringite dissolved (mol/kg solvent) 1.560E-03 Quartz dissolved (mol/kg solvent) 0.0 4.661E-04 3.997E-04 3.946E-04 Calcite precipitated (mol/kg solvent) 2.104E-03 9.884E-03 9.831E-03 9.574E-03 NOTES: A Input file “grout701.txt”; output file “grout701.out” (Attachment I) B Input file “grout702.txt”; output file “grout702.out” (Attachment I) C Input file “grout703.txt”; output file “grout703.out” (Attachment I) ANL-EBS-MD-000033, REV 00 ICN 1 140 July 2000 Table 36. Calculated Composition of Leachate from Young, Partially Carbonated Grout Assemblage at T = 90°C and Several Values of PCO2 Grout Leachate Equilibrated with Backfill for Several Values of PCO2 Element or Species Initial J-13 Groundwater (mol/kg) J-13 Water Equilibrated with Grout (mol/kg) 9.5 ppmv A (Values in mol/kg) 952 ppmv B (Values in mol/kg) 9520 ppmv C (Values in mol/kg) Al 0.0 8.115E-03 8.114E-03 8.114E-03 8.114E-03 HCO3 2.11E-03 8.811E-06 2.222E-05 1.524E-04 5.355E-04 Ca 3.24E-04 2.235E-02 1.576E-02 1.571E-02 1.582E-02 Cl 2.02E-04 2.011E-04 2.010E-04 2.010E-04 2.010E-04 F 1.15E-04 1.146E-04 1.145E-04 1.145E-04 1.145E-04 K 1.29E-04 1.287E-04 1.287E-04 1.287E-04 1.287E-04 Mg 8.27E-05 5.029E-07 5.028E-07 5.028E-07 5.028E-07 N03 3.19E-05 3.188E-05 3.188E-05 3.188E-05 3.188E-05 Na 1.99E-03 1.989E-03 1.989E-03 1.989E-03 1.989E-03 SO4 1.92E-04 1.236E-02 1.236E-02 1.236E-02 1.236E-02 Si 1.02E-03 9.574E-15 7.499E-04 6.439E-04 6.358E-04 pH 7.41 10.453 8.337 7.337 6.836 Portlandite dissolved (mol/kg solvent) 6.290E-04 Ettringite dissolved (mol/kg solvent) 4.065E-03 Quartz dissolved (mol/kg solvent) 0.0 7.515E-04 6.452E-04 6.371E-04 Calcite precipitated (mol/kg solvent) 2.104E-03 6.600E-03 6.651E-03 6.548E-03 NOTES: A Input file “grout901.txt”; output file “grout901.out” (Attachment I) B Input file “grout902.txt”; output file “grout902.out” (Attachment I) C Input file “grout903.txt”; output file “grout903.out” (Attachment I) ANL-EBS-MD-000033, REV 00 ICN 1 141 July 2000 6.3.2.2 Grout-Leachate Equilibrium The calculations show that, prior to contact with atmospheric CO2 and backfill, the grout-equilibrated leachate is highly alkaline (pH 12.286; Table 33) with a high concentration of dissolved calcium. The composition of the grout-equilibrated leachate is controlled by dissolution of portlandite and ettringite. The solubilities of portlandite and ettringite are temperature-dependent. As temperature increases, portlandite solubility decreases, and ettringite solubility increases. Solubilities calculated using PHREEQC for temperatures from 30 to 90°C are shown in Table 37. These are closed-system solubility values whereby CO2 input is fixed and limited to that initially present in groundwater. Table 37. Solubilities (kg/m3) of Portlandite and Ettringite at Several Temperatures, with Closed-System CO2 Conditions Limited to the Influent Dissolved Inorganic Carbon Temperature Solubility (mol/kg solvent) 30°C 50°C 70°C 90°C Portlandite 2.029E-002 1.472E-002 8.886E-003 6.290E-004 Ettringite 1.067E-004 4.795E-004 1.560E-003 4.065E-003 6.3.2.3 Leachate Composition Outside the Grout Upon equilibrium with atmospheric CO2 and quartz-sand backfill, quartz dissolves, pH decreases, and calcite precipitates. Upon reaction of the grout-equilibrated leachate with quartz sand, the resulting calcite precipitation and quartz dissolution are also sensitive to temperature, but are relatively insensitive to PCO2 for the range considered. At 30°C, calcite precipitates at rates from 1.819 ´ 10-2 mol/kg at low PCO2 down to 1.685 ´ 10-2 mol/kg as PCO2 approaches 10,000 ppmv (Table 33). At 90°C, calcite precipitates at 6.600 ´ 10-3 mol/kg at low PCO2, and precipitation increases slightly with increasing PCO2. These estimates of calcite precipitation are upper-bound equilibrium values that do not take into account supersaturation that is known to occur with calcite. Quartz dissolution at 30°C decreases from about 1.773 ´ 10-4 mol/kg at low PCO2, to 1.239 ´ 10-4 mol/kg as PCO2 increases toward 10,000 ppmv (Table 33). At 90°C, quartz dissolution decreases from about 7.515 ´ 10-4 mol/kg at low PCO2, to 6.371 ´ 10-4 mol/kg at high PCO2 (Table 36). The pH is controlled by the solubility of gaseous CO2, which decreases with increasing temperature. At 30°C, the leachate is initially at pH 12.286 (Table 33), but equilibrates to pH 9.371 at PCO2 = 9.5 ppmv, and decreases further to pH 7.336 at PCO2 = 9520 ppmv. At 90°C, the ANL-EBS-MD-000033, REV 00 ICN 1 142 July 2000 leachate is initially at pH 10.453 (Table 36), but equilibrates to pH 8.337 at PCO2 = 9.5 ppmv, and decreases further to pH 6.836 at PCO2 = 9520 ppmv. As the grout is leached by low-temperature groundwater, the resulting solution chemistry is determined by portlandite dissolution; at higher temperatures, solution chemistry is controlled by ettringite dissolution. In both cases, the leachate is alkaline, supersaturated with respect to calcite, and aggressive with respect to potential dissolution of quartz backfill. However, at high temperatures, the solution is calculated to contain more dissolved sulfate (up to approximately 1,200 mg/L; see Table 36) from dissolution of ettringite, with moderate increases in dissolved aluminum and calcium. As a consequence, at high temperatures, the leachate is supersaturated with respect to gypsum and anhydrite. Any grout leachate, the composition of which is described in Table 33 through Table 36, that contacts the quartz-sand backfill and gas-phase CO2 will dissolve relatively small amounts of sand while precipitating larger amounts of calcite. As temperature increases, however, the amount of silica dissolved increases while the amount of calcite precipitated decreases. 6.3.3 Grout Dissolution Rate The composition variation of the initial grout leachate solution as a function of time will be determined by dissolution and leaching of the grout mineral phases, which are determined by temperature and, to a lesser extent, by PCO2. As the mineral phases are successively dissolved, the solution composition will change. Table 38 summarizes leaching conditions for rockbolt grout. ANL-EBS-MD-000033, REV 00 ICN 1 143 July 2000 Table 38. Summary of Leaching Conditions for Rockbolt Grout Time Period 2 A Time Period 3 B Time Period 4 C Time Period 5 D Time Period from (yr) 300 700 1500 2500 To (yr) 700 1500 2500 10000 Temperature (Zone 1/2; °C) 90.05 88.42 79.96 51.69 PCO2 (atm) 1.06E–05 9.07E–06 3.31E–05 1.72E–04 Ettringite Solubility (mol/kg solvent) 4.074E-003 3.795E-003 2.576E-003 5.351E-004 Portlandite Solubility (mol/kg solvent) 6.041E-004 1.404E-003 5.170E-003 1.428E-002 Water Density (kg/m3) 965.254 966.390 971.799 987.259 Zones 3 and 4 Inflow Rate (kg/m-sec) 2.51E–06 1.11E–05 5.65E–06 8.67E-06 Seepage Flux (m/sec) 9.46E–10 4.16E–09 2.11E–09 3.19E–09 Seepage Flux (m/yr) 2.98E–02 1.31E–01 6.67E–02 1.01E–01 Scaled Flow per Rockbolt (m 3/yr) 7.52E–05 3.31E–04 1.68E–04 2.54E-04 Potential Ettringite Dissolution Rate (kg per year per rockbolt) E 3.82E-04 1.57E-03 5.39E-04 1.69E-04 Potential Portlandite Dissolution Rate (kg per year per rockbolt) E 3.36E-06 3.44E-05 6.43E-05 2.68E-04 Potential Portion of Ettringite Leached F 11% 92% 40% 93% PotentialPortion of Portlandite Leached F 0.08% 1.7% 4.0% 124% NOTES: Rockbolt diameter = 6.35E–02 m, Rockbolt steel diameter = 2.87E–02 m Rockbolt grout flow area = 2.53E–03 m 2, Rockbolt length = 2.15 m Drift diameter = 5.5 m, A. Solubilities from file: “grout90.out” (Attachment I), B. Solubilities from file: “grout88.out” (Attachment I) C. Solubilities from file: “grout79e.out” (Attachment I), D. Solubilities from file: “grout51e.out” (Attachment I) E. Product of solubility and scaled flow. Use 1.246 kg/mole for ettringite; 0.074 kg/mole for portlandite. F. Use total mineral mass per rockbolt from Table 29, divided by 3 to ignore excess grout. Groundwater flux for the preclosure period (the first 50 yr after waste emplacement) is not considered because moisture movement in the host rock will be dominated by ventilation. The Thermal Hydrology Model described in this report predicts that there will be no water flux into the drift for the Time Period 1 (from 50 to 300 yr); thus, grout dissolution is negligible during this period. For Time Period 2 (from 300 through 700 yr), the liquid influx to the backfill in the upper part of the drift, for half of the drift cross-section, is predicted to be 2.510 ´ 10–6 kg/sec (file: “th+gas_model-L4C4-ui-04.xls”; worksheet: CHEMprobL4C4upper). A small proportion of this influx will be intercepted by the grouted rockbolt holes; thus, grout dissolution is projected to begin at 300 yr. The dissolution rates for the most soluble phases of the grout are calculated for two bounding cases: . Groundwater saturates the grout cylinder, and the fluid transfer is limited by the saturated hydraulic conductivity. ANL-EBS-MD-000033, REV 00 ICN 1 144 July 2000 . Groundwater flows along rockbolt holes, in proportion to the ratio of the rockbolt hole cross-sectional area to the total plan area of the drift. The hydraulically saturated cylinder represents a minimum flow condition and therefore a maximum leaching time; geometric scaling of rockbolt flow to the total drift seepage inflow yields flow rates that are approximately three orders of magnitude greater and therefore yields a lesser leaching time. Use of the rockbolt borehole cross-sectional area for both types of flow calculations is based on the assumption that geometrical integrity is maintained the alkaline components of the cement (Assumption 5.3.7). In the following sections, degradation of the geometry is addressed by modifying the flow area. Temperature values representing the host rock where rockbolts will be installed are obtained from the TH Model, Zone 1/2 (Section 6.1; file: “th+gas_model-L4C4-ui-04.xls”; worksheet: CHEMprobL4C4upper). The reference location for TH calculations (L4C4 location) is in the lower lithophysal unit of the Topopah Springs tuff, whereas rockbolts would be installed only in the middle nonlithophysal unit (CRWMS M&O 2000a) (TBV-3902). However, thermal properties for the two units are similar, and temperature differences are small (all other aspects of the simulation being held constant). The timing of temperature changes, such as cooling through the boiling point when liquid inflow and outflow conditions return, is more strongly affected by location (center vs. edge) and the spatial variation of infiltration flux than by variability in thermal and hydrologic properties. Average temperature values for Zone 1/2 in each of four time periods are shown in Table 38. The dissolution rate of an individual mineral phase is estimated by multiplying the flow of water infiltrating a grout cylinder by the calculated solubility of the given phase for specific chemical conditions (Table 37): QS r = (Eq. 32) where r = dissolution rate (kg/sec) S = solubility for specific chemical conditions (kg/m3) Q = flow rate (m3/sec) The PHREEQC model results show that for temperatures greater than approximately 50°C, ettringite is the most soluble constituent phase and will dominate leaching response for several thousand years. 6.3.4 Flux Through Saturated Grout Cylinder Flow through a saturated vertical grout cylinder can be estimated using Darcy’s Law (Freeze and Cherry 1979, Equation 2.2) which yields the following: ANL-EBS-MD-000033, REV 00 ICN 1 145 July 2000 dz dh gk A Qgrout m r = (Eq. 33) where Qgrout = Flow rate through grout (m3/sec) A = Cross-sectional area of the grout column (m2) k = Intrinsic permeability (0.1 mdarcy = 10–19m2; Assumption 5.3.8) r = Density (958.38 kg/m3 at 100°C; 964.8 kg/m3 at 90°C; Incropera and DeWitt 1996, interpolated from Table A.6, p. 846) g = Gravitational constant (9.81m/sec2) dh/dz = Hydraulic gradient (dimensionless value of unity) m = Dynamic viscosity (m = 3.13x10–4 Pa-sec at 90°C; Incropera and DeWitt 1996, interpolated from Table A.6, p. 846) The grout occupies a hollow cylinder with 2.5-in. outside diameter, 1.125-in. inside diameter, and 2.15-m length (Section 4.1.3.4). Geometrical integrity of the grout column is assumed (Assumption 5.3.9). Vertical orientation of the bolt maximizes the hydraulic gradient. Substituting the listed values yields a flow rate through one vertical grout cylinder of 8.68 ´ 10-12 m3/sec, or less than 1 mL/yr. The time to completely dissolve a mineral phase, for the stepwise, steady-state conditions developed for chemical modeling (Section 6.1), is SQ m t = (Eq. 34) where t = Time to exhaust mineral phase (sec) m = Mass of mineral present (kg) Using the ettringite solubility of 4.065 ´ 10-3 mol/kg solvent at 90°C, a mass of 4.08 kg ettringite per rockbolt, and a molecular weight of 1.246 kg/mole, the time to dissolve the ettringite with a flow rate of 8.68 ´ 10–12 kg/sec is more than one million years for saturated conditions. This may be unrealistic, but the implication is that ettringite may be present for thousands of years. In the event that the grout is fractured or degraded, its hydraulic conductivity will increase so that the flux-scaling approach may be more appropriate. ANL-EBS-MD-000033, REV 00 ICN 1 146 July 2000 6.3.5 Flux-Scaling The TH Model predicts that, from 300 to 700 yr, there will be a small inflow of water to the drift for half of the drift cross-sectional area (file: “th+gas_model-L4C4-ui-04.xls”; worksheet: CHEMprobL4C4upper). Multiplying by two to represent the full cross-section and dividing by the drift diameter gives the seepage flux: meter) (1 D 2Q q inflow seep r = (Eq. 35) where qseep = Seepage flux (m2/m-sec) Qinflow = Seepage mass-flow entering the half-drift in the TH Model (kg/m-sec) r = Density (958.38 kg/m3 at 100°C; 964.8 kg/m3 at 90°C; Incropera and DeWitt 1996, interpolated from Table A.6, p. 846) D = Drift diameter (5.5 m) For the 300- to 700-yr time period, Qinflow = 2.510 ´ 10-6 kg/sec per meter of drift. Using Equation 35 and converting units, this gives a seepage flux of qseep = 0.0287 m3/m2-yr. Taking the interception area for one rockbolt as its cross-sectional area (Assumption 5.3.9), the flow of water that could interact with the grout is seep 2 seep 2 grout q d 4 bD q bD 4 d Q p = p = (Eq. 36) where Qgrout = Flow of water interacting with one rockbolt (m3/sec) d = Rockbolt diameter (2.5 inch) qseep = Seepage flux (0.0287 m2/m-yr for the 300- to 700-yr time period; see above) D = Drift diameter (5.5 m) b = Spacing between rockbolt patterns, along the drift axis (1.5 m) Substituting input values in Equation 36 and converting units gives a flow rate of 75 mL/yr per rockbolt for Time Period 2 (300–700 yr). Flow-rate calculations implementing Equation 36 for all of the time periods used for chemical modeling (except Time Period 1, for which there is no seepage flow into the drift) are shown in Table 38. ANL-EBS-MD-000033, REV 00 ICN 1 147 July 2000 For all time periods, the potential dissolution of ettringite and portlandite in each time period is calculated by solving Equation 34 for mass (Table 38). The tabulated values do not account for excess grout. Comparing the potential dissolution values in Table 38 with the available masses of ettringite and portlandite in Table 29 shows that the ettringite will be depleted in approximately 1500 yr (L4C4 location; “upper” infiltration distribution, as discussed in Section 6.1), and dissolution of the portlandite could require 10,000 yr or more. 6.3.6 Evolution of Leachate Composition The calculations presented in the preceding sections are integrated to model the evolution of solution chemistry for the grout leachate and for the leachate equilibrated with quartz-sand backfill (Assumption 5.3.10). The model is based on the time steps used in the TH Model, with corresponding temperatures and PCO2 values (file: “th+gas_model-L4C4-ui-04.xls”; worksheet CHEMprobL4C4upper). As discussed previously, the grout-water equilibration is assumed to be closed to gas-phase CO2, while the leachate-sand equilibration is assumed to be open (Assumption 5.3.2). The water compositions predicted to result from grout-leachate and leachate-sand equilibria are presented in Table 39. 6.3.7 Cementitious Materials Model Validation This model calculates the composition and flow rate of leachate that has interacted with fully-grouted rockbolts. (Such bolts would be used only in the portion of the potential repository that is constructed in the Tptpmn unit, in the current design concept.) A mineral assemblage is selected based on “young” cement (Hardin et al., 1998) with the exception that the gel phase is replaced by tobermorite, a compositionally similar crystalline phase. Use of a modified “young” is a bounding approximation because the labile, alkaline solids present in cement tend to produce less alkaline, carbonate minerals over tens or hundreds of years, on exposure to atmospheric CO2. The result of the approximation is that alkaline leachate is produced for thousands of years from dissolution of portlandite. Other bounding approximations include equilibration of the leachate with cement minerals, and closed-system conditions whereby gas-phase CO2 does not interact directly with leachate in the grout. Interaction of the leachate with gas-phase CO2, and quartz sand backfill, is calculated for conditions outside the grout. The flow rate of leachate associated with a rockbolt is calculated from seepage estimates, which are taken from the conservative TH models described in Section 6.1. Interaction of seepage with cement grout is calculated from the ratio of the grout annulus area of the rockbolt, to the plan area of the drift. This is a bounding approximation because the saturated hydraulic conductivity of the grout will be very small. If saturated permeability were used to limit the flow rate of leachate, the result would be orders of magnitude less than the area ratio result. The cementitious materials model is a valid bounding model for leachate chemistry and flow rate. The model does not consider diffusive transport of alkaline species from the interior of the grout to the surface (nor transport of gas-phase CO2 to the interior). ANL-EBS-MD-000033, REV 00 ICN 1 148 July 2000 6.3.8 Summary This model provides estimates for flow rate and major-species chemistry of grout leachate. Leachate pH values of 10.4 to 11.6 are predicted during cooldown (Table 39) and depend primarily on the solubility of portlandite, which increases at lower temperature. These elevated pH values for leachate will probably not occur at the drip shield or the waste package because of mixing with other water in the EBS and because of reaction with quartz-sand backfill and gas-phase CO2. After the leachate reacts with CO2 and quartz-sand backfill, pH in the range 8.5 to 9.0 is predicted. Depending on the solubility of ettringite, sulfate concentrations as great as 1.24 ´ 10-2 mol/kg (1200 mg/L) are predicted at the highest temperatures. The total mass of sulfate delivered to the drifts from the cement by seepage depends on the flow rate, which may vary from less than one to several hundred mL/yr per rockbolt. Because of the relatively high sulfate concentration in leachate, particularly at elevated temperatures, the effect of mixing with other water in the EBS could be to moderate the pH obtained as the mixture is evaporated. However, the mass of sulfate and the associated products of evaporation will be increased. The grout permeability is small (Assumption 5.3.8), which substantially limits chemical interaction of the grout with the EBS environment and increases the longevity of the grout to dissolution. Flux scaling produces greater flow rates, and thus greater potential effect on the bulk chemical environment, than does limiting leachate flow by the saturated permeability of the grout. Even with flux scaling, the composition and quantity of leachate after equilibration to quartz and CO2, are of minor importance compared to the composition of water in the bulk environment (Section 6.7.2). Neither ettringite nor portlandite completely dissolves until at least 1500 yr, depending on the water flow rate. Other phases (e.g., brucite, tobermorite) are more stable to dissolution and tend to alter to more thermodynamically stable minerals. These results are based on the selected TH Model (Section 6.1; L4C4 location, “upper” infiltration distribution), which provides conservative estimates for infiltration and seepage rates and therefore tends to maximize the rate of dissolution of ettringite and other cement phases. Potentially important uncertainties associated with this model include the transient effects of rockfall, which could cause rapid rockbolt failure and comminution of the grout. Conversely, the model does not consider cement carbonation from diffusion of gas-phase CO2 directly into the grout, which could completely neutralize the alkaline constituents well within the 10,000-yr performance period. Consumption of CO2 by reaction with cement leachate is discussed in Section 6.7.7.1. In general, it is shown that the model has an appropriate level of confidence suitable for its intended use. ANL-EBS-MD-000033, REV 00 ICN 1 149 July 2000 Table 39. Evolution of Leachate Composition with Time Time Period 2 300– 700 yr T = 90.05°C PCO2 = 10 ppmv A Time Period 3 700–1500 yr T = 88.42°C PCO2 = 9 ppmv B Time Period 4 1500– 2500 yr T = 79.96°C PCO2 = 20 ppmv C Time Period 5 2500-5000 yr T = 51.69°C PCO2 = 53 ppmv D,E Grout Equil. Quartz Equil. Grout Equil. Quartz Equil. Grout Equil. Quartz Equil. Grout Equil. Quartz Equil. Al (mol/kg) 8.13E-03 8.13E-03 7.58E-03 7.58-03 0.0 0.0 0.0 0.0 CO2 (total) (mol/kg) 8.81E-06 1.46E-05 8.87E-06 1.45E-05 9.17E-06 1.04E-04 7.90E-06 8.29E-04 Ca (mol/kg) 2.24E-02 1.59E-02 2.15E-02 1.48E-02 8.85E-03 1.23E-04 1.30E-02 3.73E-05 Cl (mol/kg) 2.01E-04 2.01E-04 2.01E-04 2.01E-04 2.01E-04 2.01E-04 2.01E-04 2.01E-04 F (mol/kg) 1.15E-04 1.15E-04 1.15E-04 1.15-04 1.15E-04 1.15E-04 1.15E-04 1.15E-04 K (mol/kg) 1.29E-04 1.29-04 1.29E-04 1.29-04 1.29E-04 1.29E-04 1.29E-04 1.29E-04 Mg (mol/kg) 5.04E-07 5.04-07 4.80E-07 4.80E-07 2.76E-07 2.76E-07 1.95E-07 1.95E-07 NO3 (mol/kg) 3.19E-05 3.19-05 3.19E-05 3.19E-05 3.19E-05 3.19E-05 3.19E-05 3.19E-05 Na (mol/kg) 1.99E-03 1.99E-03 1.99E-03 1.99E-03 1.99E-03 1.99E-03 1.99E-03 1.99E-03 SO4 (mol/kg) 1.24E-02 1.24-02 1.16E-02 1.16E-02 1.92E-04 1.92E-04 1.92E-04 1.92E-04 Si (mol/kg) 9.58E-15 9.03-04 9.46E-15 8.92E-04 1.01E-14 1.21E-03 6.17E-15 4.07E-04 pH 10.45 8.70 10.50 8.74 10.81 9.35 11.58 9.31 Portlandite dissolved (mol/kg solvent) 6.04E-04 1.40E-03 1.15E-02 1.56E-02 Ettringite dissolved (mol/kg solvent) 4.07E-03 3.80E-03 Note E Note E Quartz dissolved (mol/kg solvent) 0.0 9.05-04 0.0 8.93E-04 0.0 1.21E-03 0.0 4.07E-04 Calcite precipitated (mol/kg solvent) 2.10E-03 6.46E-03 2.10E-03 6.69E-03 2.10E-03 8.72E-03 2.11E-03 1.30E-02 NOTES: A Input file “grout90.txt “; output file “grout90.out” (Attachment I) B Input file “grout88.txt “; output file “grout88.out” (Attachment I) C Input file “grout79.txt “; output file “grout79.out” (Attachment I) D Input file “grout51.txt “; output file “grout51.out” (Attachment I) E Ettringite is totally leached from the grout for Time Periods 4 and 5, based on results in Table 38. ANL-EBS-MD-000033, REV 00 ICN 1 150 July 2000 6.4 MICROBIAL EFFECTS MODEL 6.4.1 Introduction The Microbial Effects Model is intended to support modeling of the in-drift chemical environment and to identify the most important ways that microbial activity could affect the bulk chemical environment. Its purpose is also to implement these mechanisms as sensitivity studies in the in-drift chemical models. This model provides a framework for including microbial effects in performance assessment and for establishing confidence that repository construction and the use of introduced materials will not promote unacceptable rates of waste-package and drip-shield corrosion from microbial causes. The objectives of the microbial portion of this report include the following: . Develop a conceptual model for the consequences of microbial activity to repository performance. . Summarize available laboratory data on microbial effects associated with engineered materials and Yucca Mountain tuff. . Specify factors that limit microbial activity and the extent of such limitation expected in the repository environment. . Develop a model framework for including microbial effects in predictive models of the bulk chemical environment. There are approximately 104 to 105 total bacteria per gram of Yucca Mountain tuff at the repository horizon (Horn et al. 1998a, pp. 4–5). This is a low density compared to microbially rich environments (e.g., marine sediments, agricultural soils), which can contain as much as 109 bacteria per gram. In the long run, the microbiological community in a potential Yucca Mountain repository may accelerate degradation of engineered materials (e.g., steel used in ground support or the CRM used in waste packages). Bacteria can cause pH changes and oxidize or reduce various chemical species, thereby solubilizing metals. End products of some metabolic activities, such as the generation of sulfide, can also be corrosive to metals. Bacteria may also dissolve metals by means of chelation or by interaction with polysaccharide compounds excreted externally to the organisms. Deposition of polysaccharides also creates differential aeration gradients that accelerate corrosion. Microorganisms isolated from Yucca Mountain have been shown to possess activities associated with alteration of construction materials, including exopolysaccharide production, acid generation, sulfide production, and iron oxidation; this demonstrates the potential for these activities during repository evolution (Horn et al. 1998a, pp. 4–5). However, the actual occurrence of microbial effects on EBS and waste package materials will depend on the capacity of microbes to remain active and grow in the repository environment. Accumulation of microbial effects over time will depend on the microbial population densities and on the metabolic strategies they employ. ANL-EBS-MD-000033, REV 00 ICN 1 151 July 2000 6.4.2 Conceptual Models for Factors Limiting Microbial Activity Bacteria are ubiquitous in nature, but they require the following for growth and metabolic activity: . Environmental conditions including temperature and availability of water. (Some strains of bacteria are also inhibited by nuclear radiation at intensities anticipated to occur in immediate proximity to waste packages.) . Nutrient availability for building the molecules that make up the organisms plus extracellular organic material. (Required nutrients include a carbon source and trace species such as phosphate, sulfur, and nitrogen.) . Energy sources in the form of thermodynamically favored reactions between accessible elements and compounds in the environment, which may also include carbon sources. The nature of environmental conditions, the availability of nutrients, and the availability of energy sources have been observed to limit microbial growth and metabolic activity in Yucca Mountain welded tuff or in analogous settings in other geologic media, as discussed below. 6.4.2.1 Environmental Conditions Water Availability Experiments have determined that the primary environmental factor limiting microbial growth in the Yucca Mountain welded tuff host rock is lack of water (Kieft et al. 1997, p. 3131; Horn et al. 1999b, p. 565). Water inside microbial cells is needed to do the following: . Maintain intracellular metabolic functions . Maintain turgor of cells (i.e., the internal hydrostatic pressure) . Allow movement of molecules through the environment and through the cell membranes . Maintain stability of hydrated cellular components Based on observed microbial growth from Yucca Mountain rock in synthetic Yucca Mountain groundwater under saturated conditions in the absence of a reduced carbon source, the availability of water was determined to be the primary factor limiting microbial growth. These experiments duplicated the in situ environmental conditions at Yucca Mountain except for the presence of 100 percent saturation of the rock with tuffaceous groundwater. Under these saturated conditions, microbial growth rose to 106 to 107 aerobic carbon-degrading cells per milliliter groundwater. The fact that microbial growth was observed only when the degree of ANL-EBS-MD-000033, REV 00 ICN 1 152 July 2000 saturation was altered indicated that water availability was the primary factor preventing microbial growth beyond 104 to 105 cells/gm Yucca Mountain rock (Horn et al. 1999b, p. 565). Many types of microorganisms can survive long periods of desiccation because of specialized dormant structures such as spores, cysts, and resting stages. However, free water is required for resumption of active metabolism and growth. Elevated Temperature Elevated temperature can also limit microbial activity and growth. Temperature ranges in which activity and growth can occur vary widely among different types of organisms. Mesophiles that inhabit temperate environments such as the potential repository host rock (before or after heating) typically have growth optima in the range of 25–40°C, although special adaptations can allow activity beyond the upper limit (Straus et al. 1987, pp. 348–351). Organisms in resting stages can survive temperatures well beyond the limit but do not permit metabolic activity because encysted cells remain dormant until the return of conditions that allow growth. Microorganisms that are found in extreme environments can exhibit higher optimal growth temperatures. Organisms are known that are capable of growth at temperatures exceeding 60°C (thermophiles), including some that grow at 90° to 100°C (hyperthermophiles) and are typically found in habitats such as mudpots and hot springs (Kristjánsson and Hreggvidsson 1995, pp. 18-19). The consensus among workers in this field is that the upper limit to any bacterial growth is approximately 120°C. Such organisms are encountered in deep-sea hydrothermal vents (Reeve 1994, p. 541). Whether hyperthermophilic organisms are present at Yucca Mountain or will be introduced into repository drifts by repository construction is not determined, although bacterial growth has been detected from Yucca Mountain rock at 50°C (Horn et al. 1998a, p. 8). Where temperatures in the repository exceed 120°C, no bacterial activity will be possible (although sporulated bacteria could survive through such conditions). At temperatures less than 120°C hyperthermophiles can become active if they are present and if water availability and other environmental conditions permit. Gamma Irradiation Another factor that will limit bacterial growth in the potential repository is ionizing radiation generated by decaying radioactive waste. Because radiation must penetrate the waste package wall to affect the EBS environment, only gamma radiation is considered. Resistance of microbes to gamma irradiation varies depending on the species. Bacterial spores are relatively radiationresistant; a dose of 0.3–0.4 Mrad is required to effect 90 percnent kill. Most vegetative cells (active, nonsporulated) require only a tenth of this dose to effect the same rate of kill (Atlas and Bartha 1981, pp. 142–143). However, there are species that display higher radiation resistance even in the vegetative state; these include Micrococcus radiodurans, which can tolerate 1.0 Mrad of irradiation without decrease of the viable cell count (Mattimore and Battista 1996, p. 633). Generally, a gamma dose of 3 Mrad is used to sterilize food and medical instruments (McLaren 1969, p.63). Gamma radiation doses will be on the order of 100 rad/hr immediately following ANL-EBS-MD-000033, REV 00 ICN 1 153 July 2000 emplacement of waste packages containing nuclear fuel assemblies. Thus, within a period of just more than a year, a total dose of 1 Mrad would be achieved on the surface of waste packages. Gamma radiation fields will be most intense when waste-package heat output is highest; thus, radiation effects will be coupled with elevated temperature and dry conditions. It is not known whether radiation-resistant organisms inhabit Yucca Mountain or will be introduced by repository construction, and whether such organisms, if present, can survive elevated temperatures and dry conditions. However, the naturally occurring radioactive environments in which radioresistant organisms evolved often include multiple environmental stressors such as the occurrence of elevated temperatures. Therefore, radioresistance might be coupled to other types of resistance in these types of organisms. Further, physiological response to a single stressor has been shown to cause induction of resistance to other stressors in bacteria (McCann et al. 1991, p.4193). When considering the effects of irradiation on activity and growth, it is important to consider shielding provided by backfill, ground support materials, and rock. These are effective shielding materials; thus, organisms located a few meters from the waste packages will receive a much smaller gamma dose than will those at the waste-package surface. These organisms could readily re-enter the EBS during cooldown when liquid flux resumes; therefore, even if much of the EBS is sterilized by high radiation, later recolonization will occur. It can occur rapidly (relative to the 10,000-yr performance period) when liquid flux conditions are conducive to transport and environmental conditions (water, heat, radiation) are within ranges that permit growth. 6.4.2.2 Nutrient Availability Phosphate Testing has shown that when sufficient water is available, and temperatures and radiation are within ranges conducive to growth, phosphate availability is the primary factor that limits bacterial growth (Horn et al. 1999b, p. 565; McCright et al. 1998, pp. 191–193, 209). Phosphate is a principal component of both nucleic acids (DNA and RNA) and phospholipids, which are major components of biological membranes. Phosphate is therefore an essential nutrient for activity and growth of all biological organisms. Phosphate is the predominant phosphorous species in groundwaters, and UZ waters contain low concentrations of phosphate. J-13 water is an analogue to fracture waters in the host rock; using standard methods of analysis for groundwater, the phosphate concentration has been found to be approximately 120 mg/L (DTN LL980711104242.054; see discussion of J-13 water in Section 4.1.5). Phosphate concentration has not been reported for matrix porewater extracted from drillcore. However, when comparing other rock-derived anionic species such as chloride and sulfate in matrix porewaters vs. J-13 water (DTN GS970908312271.003, DTN GS961108312271.002 (TBV-3610), and DTN LL980711104242.054) (TBV-3588), the matrix porewaters are more concentrated. By analogy, the phosphate concentration in matrix porewaters may be greater than in J-13 water. Experimental studies have shown that under saturated conditions, when Yucca Mountain tuff is used as a source of microbial inoculum and incubated in synthetic Yucca Mountain groundwater, ANL-EBS-MD-000033, REV 00 ICN 1 154 July 2000 microorganisms mobilize the phosphate contained in the tuff to support growth to densities of at least 106 bacteria per milliliter of water (Horn et al. 1999b, p. 565; McCright et al. 1998, pp. 191–193, 209). When synthetic groundwater is amended with exogenously added phosphate, bacterial densities increase well beyond 106 to 107 bacteria per milliliter (Horn et al. 1999b, p. 565; McCright et al. 1998, pp. 191–193, 209). Thus, it is likely that any EBS material that contains biologically labile phosphate will stimulate microbial growth beyond bacterial densities that are achieved with tuff only (other environmental conditions permitting). It is important to note that phosphate is cycled in microbial communities. This means that the same phosphate mass inventory can continue to sustain the activity of a microbial population even as the abundance of other nutrients fluctuates and despite the fact that individual organisms undergo birth and death. The total population of organisms is limited by the total availability of phosphate, but a continuous supply is not required to sustain metabolic activity. For limiting microbial activity on the waste-package surface, this fact essentially lowers the threshold for allowable phosphate transport to the waste package, relative to species that are primarily consumed by metabolic activity such as energy sources. Investigation of phosphate limitation for Yucca Mountain organisms has focused exclusively on those types that degrade organic carbon (as a carbon source) and utilize oxygen (as a terminal electron acceptor). Investigations in progress are examining the growth of Yucca Mountain anaerobes (which use alternative electron acceptors such as sulfate) and are capable of using CO2 as a carbon source for growth. It is expected that these organisms will also be phosphate-limited because phosphate is utilized by all biological organisms, and concentrations of phosphate in Yucca Mountain groundwater are relatively low. Other “macronutrients” (those used at high levels)—carbon, sulfur, and nitrogen—were not found to limit, in synthetic J-13 water, the support of growth to levels of 109 cells per milliliter (McCright et al. 1998, pp. 191–193, 209). Carbon Source The cited investigations using Yucca Mountain tuff have examined only the growth of aerobic carbon-degrading organisms. These include organisms capable of obtaining carbon from the CO2 in air or equivalently from dissolved inorganic carbon. This selection is justified because there are no significant natural sources of organic carbon in the host rock nor sources of organic carbon in the EBS (Assumption 5.4.1, Assumption 5.4.2, and Assumption 5.4.3). Like phosphate, the carbon contained in biomass is cycled in microbial communities; thus, organic carbon may become available for supporting increasingly diverse types of organisms once a microbial community becomes established. Based on information presented in this discussion and because of the availability of CO2 in the gas phase, it is currently unfeasible to show that a carbon source is limiting for any type of microbial activity for any location in the potential repository where conditions favor growth of carbon-reducing bacteria. 6.4.2.3 Energy Sources Bacteria generally extract energy from the environment by mediating thermodynamically favored oxidation-reduction reactions. As part of a subsistence strategy, the organisms may alter ANL-EBS-MD-000033, REV 00 ICN 1 155 July 2000 their environment, and the alteration often has the effect of promoting solubilization of reactants. This is one important basis for microbially fluenced corrosion (MIC) in which bacteria on metal surfaces change the local environment. Energy sources for bacteria exist in the host rock, as is evident from the existing population of viable organisms. The host rock contains reduced iron, manganese, and traces of other redoxsensitive metals (Broxton et al. 1989, Tables 3 and 4) that can act as electron donors. For potential electron acceptors, the environment has abundant oxygen in the gas phase, and UZ waters contain available sulfate and nitrate. The repository environment will therefore be associated with a some level of microbial activity after return of moisture during cooldown. If the potential repository is constructed without adding electron donors or acceptors other than those already qualitatively present in the host rock, the types of energy sources will not change. The changes that will occur include the distribution of water, the effects of heat, the composition of the aqueous phase, and the relative amounts and spatial distribution of potential nutrients represented by introduced materials. These changes may constitute a significant perturbation of the environment for microbial growth and activity. The overall rate of microbial activity, and the balance between different energy sources used, may vary from background conditions (pre–waste-emplacement and/or far-field) depending on the concentration and distribution of introduced materials. It is important to note that the microbial population in the host rock may be capable of alternative exploitation strategies if environmental and nutrient conditions are substantially modified. For example, other classes of organisms that are present in the host rock, particularly sulfate-reducing forms, are under investigation. Also, the in situ population will be augmented by exogenous organisms during construction and operation. The combined types must be considered capable of metabolizing any energy sources present in the repository. 6.4.3 Conceptual Models for Microbially Influenced Corrosion of Corrosion-Resistant Materials MIC can be important to waste isolation without significantly altering the bulk chemical environment. The hallmark of MIC is the establishment of a biofilm or accretion of a consortium of bacteria on a metal surface. Concentrations of various chemical species are greater within the biofilm than in the bulk environment. The effects of collective microbial activity in the biofilm are localized and impinge directly on the metal surface and on the immediate surrounding areas. As energy sources, the CRMs are electron donors similar to steel, but are less available for biological use because of their greater resistance to attack. Also, some alloy components are spontaneously and abiotically oxidized in aerobic environments, thus forming products with low solubility and minimal availability to microorganisms. For example, the chromium in A-22 can be solubilized to Cr(II), but it then oxidizes abiotically to Cr(III), which then precipitates as Cr-oxide or Cr-hydroxide at near-neutral pH. The precipitated phases have low solubility and minimal availability to microorganisms. Of the alloying elements contained in the CRMs, manganese, iron, and sulfur are the components most potentially labile and likely to be used as energy sources. ANL-EBS-MD-000033, REV 00 ICN 1 156 July 2000 6.4.4 Conceptual Models for Potential Interaction of Yucca Mountain Bacteria with Engineered Barrier System Materials The following discussion is included as background information and shows that under certain environmental conditions, microbial activity can degrade the materials present in the EBS. These potential interactions are limited by factors discussed previously: elevated temperature, limited water availability, and nutrient limitation. The discussion in the following sections is summarized in Table 40. The table also indicates, for each potential interaction in which EBS materials could be affected, possible causes and the priority for consideration in ongoing laboratory investigation of microbial effects. Table 40. Summary of Potential Microbial Interactions with EBS Materials, Possible Causes, and Priority for Inclusion in a Model of Microbial Effects EBS Material Potential Interaction Possible Causes Priority Information Source Comments Carbon-reducing bacteria High YMP testing Can use inorganic carbon as C source; produces acids, solubilizes Fe, Mn; ferric precipitates Sulfate-reducing bacteria High YMP testing May couple with sulfuroxidizing bacteria and produce corrosive sulfides Iron-oxidizing bacteria High YMP testing May produce protons, hydrogen, FeCl3, and biogenic mineral acids Carbon steel Cathodic corrosion Sulfur-oxidizing bacteria Low YMP testing Produces biogenic acids and hydrogen; may couple with sulfatereducing bacteria Yucca Mountain bacteria High YMP testing Also a source of solubilized Fe, Mn, Al, Ca, Mg, Na, K, and Si Host rock Source of aqueous phosphate Sulfur-oxidizing bacteria Low YMP testing Release phosphate probably associated with biogenic acids Dissolution Biogenic acids Low Literature Dolomite and limestone Precipitation CaSO4 decomposition; methanogenesis Low Literature Methanogenesis requires anoxic conditions Cement Dissolution Sulfur-oxidizing bacteria; nitrifying bacteria; fungi Low Literature May couple with sulfatereducing or denitrifying bacteria Quartz-sand backfill Dissolution Biogenic acids; exopolysaccharides Low Literature Unknown metabolic advantage at the expense of synthesized chelates ANL-EBS-MD-000033, REV 00 ICN 1 157 July 2000 6.4.4.1 Carbon Steel Historically, MIC of metals was attributed to a single class of organisms: the sulfate-reducing bacteria (SRB). These microbes carry out an anoxic (anaerobic) metabolism whereby sulfate is a terminal electron acceptor instead of oxygen. Sulfide is produced and can occur as H2S. Metal corrosion occurs in part because hydrogen is used as an electron source for sulfate reduction. Stripping of hydrogen from metal surfaces decreases cathode polarization and accelerates corrosion. Additionally, FeS can be produced as the product of sulfides reacting with ferrous ions and can be corrosive. Currently, MIC is recognized as a group of interacting processes carried out by multiple classes of bacteria (as reviewed by Borenstein 1994, pp. 4–5, and Little et al. 1991, pp. 256–259). Bacteria that secrete exopolysaccharides (EPS) into the extracellular environment form slime capsules that obstruct free diffusion of oxygen to the metal surface, thus creating a reducing environment. This condition is accentuated by aerobes within the slime layer that consume oxygen. The creation of anoxic regions within the slime layer facilitates the growth of anaerobic sulfate reducers. Differential oxygen gradients within the slime film contribute further toward the creation of anodes, which is where metal dissolution occurs. The acidic end products of fermentation, another anaerobic metabolic process, also can contribute to metal attack. In the aerobic regions of the film, iron and sulfur oxidizers may oxidize dissolved metal components and generate mineral acids. These conditions degrade the protective metal oxide film and produce pitting. These processes require the formation of biofilms and sufficient water availability to prevent desiccation. Electrochemical studies have shown that, for the experimental conditions employed, Yucca Mountain bacteria can increase corrosion rates of carbon steel alloy C1020 by a factor of six to seven (Horn et al. 1998b, pp. 3–4; Lian et al. 1999, pp. 3, 12; Horn 1999). Electrochemical studies may have produced lower-bound corrosion rates; thus, a tenfold increase is assumed for this model (Assumption 5.4.5) (Horn 1999). This may be a lower-bound rate estimate because the test cells employed probably became anaerobic during the five-month duration of the test and because the bacterial growth medium employed was not replenished. Continual-flow (i.e., replenished) experiments using synthetic J-13 groundwaters and nonsterile Yucca Mountain tuff were also conducted. Chemical analyses of the surfaces of corroded carbon steel alloy C1020 coupons showed accretion of calcite, greenalite (a reduced-iron silicate oxyhydroxide), rancieite (a calcium-manganese oxide), and an unidentified iron-silicate phase. A particulate phase detached from the coupons during the tests and contained the Fe(III) oxyhydroxide iron phases lepidocrocite and goethite as well as smectite silicates, cristobalite, and feldspars. These particles consisted of spalled corrosion products and tuff fines as well as precipitated minerals from the aqueous phase. Both solubilized iron and manganese were found in the aqueous phase, and the concentrations were greater than in the absence of C1020 steel. Manganese concentrations rose to 0.700 ppm in the presence of C1020 and to 0.540 ppm in its absence; iron concentrations increased to 0.700 ppm when C1020 was present but only to 0.030 ppm or less in its absence (Horn et al. 1999a, pp. 4, 11). In ongoing work, these results are being compared to identical systems containing sterilized tuff (i.e., not containing Yucca Mountain or other bacteria) to determine the contribution of microbial activity to these results. ANL-EBS-MD-000033, REV 00 ICN 1 158 July 2000 Other Potential Corrosion Mechanisms Iron-oxidizing bacteria use ferrous iron as an electron source and generate ferric iron, which precipitates as an oxide. Other organisms are also capable of oxidizing manganese, a component of carbon steel. Metal cations react with water to generate protons, resulting in decreased pH. Colonies of organisms can create anoxic conditions and anodic and cathodic regions, as described previously. Additionally, ferric cations attract and combine with free chloride anions and produce ferric chloride, which is aggressive toward metal surfaces (Borenstein 1994, pp. 27-31; Lian et al. 1999, pp. 5–6, 10). Many microorganisms secrete organic and inorganic acid metabolites. Oxidizing acids (such as sulfuric acid produced by sulfur-oxidizing bacteria) are directly corrosive and disrupt surfacepassivating oxide films. The presence of acids also contributes to hydrogen generation for consumption by sulfate reducers and can dissolve protective calcium scale. Bacteria may promote hydrogen embrittlement of metals by direct production of hydrogen, by generation of protons that can be reduced to hydrogen at cathodic sites, and by production of hydrogen sulfide, which promotes the adsorption of hydrogen into metal matrices. Not all of these microbial processes occur in every instance of MIC. Rather, each of the different types of microbes contributes different corrosive properties and can occur in various combinations, depending on the nature of the metal surface and environmental conditions. For example, MIC failures of carbon steel are most often associated with acid production and sulfate reduction (Little and Wagner 1997, pp. 40–44). 6.4.4.2 Host Rock As discussed previously, tuff can serve as a source of phosphate for growth of Yucca Mountain organisms. Microbial growth was observed in response to increased water availability, and the phosphate needed for growth must have been mobilized from Topopah Spring welded host rock, which contains approximately 0.007 percent phosphate (Broxton et al. 1989, Table 3, 0.01 percent P2O5 in Topopah Spring rhyolite). Addition of exogenous phosphate further increased growth, resulting in greater cell densities. Also, manganese has been shown to solubilize from Yucca Mountain tuff in the presence of Yucca Mountain microorganisms, while iron contained in tuff is not mobilized to the same extent (Horn et al. 1999a, pp. 4, 11). Further, these results show that silicon and calcium are also solubilized from tuff when bacteria are present because these elements are found in precipitates observed as mineral phases associated with corrosion products. It is also evident that aluminum, magnesium, sodium, and potassium are solubilized from tuff because these are present in the particulate fraction from these tests (Horn et al. 1999a, pp. 4–7). In ongoing work, these results are being compared to identical systems containing sterilized tuff (i.e., not containing Yucca Mountain or other bacteria) to distinguish the effects that are attributable to microbial activity. Microbial dissolution of phosphate from rock is directly related to acidity (He et al. 1997, pp. 329–331). Ghani and coworkers (1994, pp. 127–130) reported release of phosphate from rock by a species of sulfur-oxidizing bacteria and attributed observations to biogenic acid production. ANL-EBS-MD-000033, REV 00 ICN 1 159 July 2000 6.4.4.3 Dolomite and Limestone The primary effect of bacteria on carbonate minerals is dissolution by biogenic acids. Bacterial processes may lead to production of carbonates, by means of SRB, through utilization of sulfate contained in gypsum (CaSO4) and other sulfate-containing minerals. Conversion of dissolved carbonate by methane-producing bacteria may also lead to carbonate precipitation. It has been reported that carbon-reducing organisms, which are present in the host rock and may be active in the potential repository, can produce carbonate precipitates by possibly unknown mechanisms (Fenchel and Blackburn 1979, pp. 98–99). Calcite crystals were observed on the surface of exposed C1020 coupons incubated in the presence of synthetic J-13 water and Yucca Mountain tuff. The contribution of bacteria to this process will be established when sterile control experiments are analyzed (Horn et al. 1999a, pp. 4–7). 6.4.4.4 Cement A number of types of microorganisms are capable of degrading cementitious materials by producing acids that leach calcium and other alkaline binding agents. Such organisms are known to degrade sewer lines and surface concrete structures. In environments where reduced sulfur compounds are present (e.g., sewers), the production of sulfuric acid by sulfur-oxidizing bacteria causes extensive cement degradation. Sulfur-oxidizing bacteria have been found in every sample of Yucca Mountain tuff tested for their presence (Horn et al. 1998a, p. 4). In environments where reduced sulfur compounds have limited abundance (e.g., at the ground surface) nitric-acid– producing bacteria have been found to play a role in cement degradation (Diercks et al. 1991, p. 515). Reduced sulfur compounds and reduced nitrogen compounds both can concentrate in slime layers in biofilms. Concrete can also be corroded by organic acids produced by fermentative bacteria under reducing conditions (Sand and Bock 1991, pp. 175–181). Fungi have also been implicated in these processes and are present in Yucca Mountain tuff (Perfettini et al. 1991, pp. 528–529; McCright et al. 1998, pp. 194–195). 6.4.4.5 Quartz Sand Bacteria and fungi can have a role in cycling of silica in the geosphere. Biomobilization of silica occurs through a number of different mechanisms, as reviewed by Ehrlich (1996, pp. 226–232). Dissolution of quartz by biogenic acids has been reported, a situation whereby microbial colonization of quartzose rock in a polluted aquifer resulted in etching of the mineral phase (Hiebert and Bennett 1992, pp. 279–281). Silicate minerals containing polyvalent cations such as aluminum or calcium are solubilized by biogenic production of organic acids, which chelate the mineral cation component and thereby release soluble silica. Microbially produced EPS can have a role in silicon release from quartz. Such charged polymeric sugars apparently react with siloxanes to produce organo-siloxanes (Heinen and Lauwers 1988, p. 146). Because it occurs even in EPS extracts from which cells have been removed, the reaction is not enzymatically mediated, which lends support to the direct reaction of siloxanes with EPS. ANL-EBS-MD-000033, REV 00 ICN 1 160 July 2000 6.4.5 Threshold-Modeling Approach Based on Growth-Limiting Factors This approach uses available data defining limiting factors to growth. Limiting factors determine the timing of bacterial activity when bulk environmental conditions permit growth and metabolic activity. This approach takes advantage of TH Model results and makes possible superposition of other factors such as radiation dose. Microbiologists commonly use the term “water activity” (aw) to describe microbial water relationships in complex environments. It is an index of water availability for use by organisms and encompasses osmolality, adsorption, and capillarity. The aw for dilute free water is defined as unity; solute and solid surface interactions lower aw to some fraction (Potts 1994, pp. 757-758). The aw has also been defined as the ratio of the vapor pressure of a solution to that of pure water at a given temperature, which is equivalent to relative humidity (Stotzky and Pramer 1973, pp. 64–65). Most bacteria require aw > 0.9 for active metabolism; a specialized group of salt-tolerant bacteria (halophiles) can remain active at aw values of 0.75 or less. Fungi are generally more tolerant of desiccation and remain active to aw as low as 0.55 (Brown 1976, pp. 806–807). These values define bounding values for the relative humidity, and thus the time, at which microbial activity in the potential repository can resume during cooldown. The principle applies to geologic materials such as backfill. Water activity tends to be uniform in the EBS because of liquid- and gas-phase migration of water in air and porous media; thus, isolated pockets of high water activity are not likely to occur. Water-activity, temperature, and radiation-dose conditions can be combined to formulate limits for microbial activity. Published results based on extreme behaviors of known organisms can be used as a guide for establishing limits where site-specific data are unavailable. More precise estimates based on comprehensive characterization of organisms at Yucca Mountain are unwarranted because of uncertainty about which types of organisms will be present during the postclosure period and because of the potential for biological adaptation in response to environmental stresses. The threshold model for microbial growth and activity on the waste package surface is described as follows. 6.4.5.1 Threshold Conditions for Microbially Influenced Corrosion of the Waste Package . Growth and activity are nil until the waste-package surface temperature drops to less than 120°C for all environmental conditions. . Growth and activity on the waste-package surface are nil, even after RH increases above 90 percent, as long as the following conditions apply (Assumption 5.4.4): Water has not leaked through the drip shield onto the waste package. ANL-EBS-MD-000033, REV 00 ICN 1 161 July 2000 The waste package has not directly contacted the backfill, invert, or corrosion products of steel ground support during the postclosure period, nor are there sufficient tuff particulates on the waste package to support growth. . If water leaks onto the waste package during the thermal period before the relative humidity has returned to 90 percent, microbial growth and activity are nil as long as the time-averaged relative humidity is less than the threshold at which aqueous conditions occur in the presence of evaporated salts. 6.4.5.2 Threshold Conditions for Microbially Influenced Corrosion of the Drip Shield . Growth and activity are nil until the drip-shield surface temperature drops to less than 120°C for all environmental conditions. . For water contacting the drip shield during the thermal period before the relative humidity has returned to 90 percent, microbial growth and activity are nil as long as the time-averaged relative humidity is less than the threshold at which aqueous conditions occur in the presence of evaporated salts. Biofilms are complex consortia of organisms that form on a solid substrate. Biofilm formation has been closely associated with microbially influenced corrosion of metals (Little et al. 1991, pp. 235–255). Experimental investigation would be needed to determine the minimum relative humidity that supports formation of biofilms on candidate waste-package materials, for humidity conditions (Assumption 5.4.4). 6.4.6 Effects of Microbial Activity on the Bulk Physical and Chemical Environment The foregoing discussion has shown that microbial growth and activity will return to the EBS when environmental conditions permit. The rate of that activity will determine the overall magnitude of the potential effects on the bulk chemical environment. The principal effects will consist of the following: Interaction with Quartz Sand–The specific surface area of quartz-sand backfill may be large relative to accessible quartz surfaces in the host rock, and conditions may be warm and moist at times during the repository evolution, which could be favorable to microbial growth. However, silica polymorphs are common in the host rock, which is 75 to 77 percent SiO 2 (Broxton et al. 1989, p. 5973), yet there has been no reported interpretation of silica interaction with microbes in situ from mineral textures, aqueous silica concentration, or the presence of complexing agents for Si. By themselves, silica polymorphs, including quartz, do not offer an energy source nor the chemical constituents needed for growth. Accordingly, it is unlikely that the rate of microbial interaction with quartz would be sufficient to alter the bulk chemical environment. Interaction with Crushed Tuff–The crushed tuff that will be used as invert ballast material will differ from the local host rock only with regard to comminution and the source of the rock within the repository excavation. Prior to use in the invert, the crushed tuff will be treated to limit surface-derived organic contamination (Assumption 5.4.2). Broken surfaces may expose grains of minerals bearing biologically important constituents while increasing access to water. However, extensive laboratory testing experience with crushed tuff has shown that microbial ANL-EBS-MD-000033, REV 00 ICN 1 162 July 2000 growth is limited even when tests are liquid-saturated (without carbon or phosphate augmentation). Microbially Influenced Corrosion of CRMs—MIC will oxidize metallic barriers and likely consume oxygen as an energy source while obtaining carbon from an inorganic source such as dissolved or gaseous CO2. Sulfur reduction, with associated oxidation and possible production of H2S and mineral acids, may occur. The rates of these processes will be negligible because of inherent resistance of CRMs to microbial attack and because of slow rates of corrosion. Microbially Mediated Corrosion of Structural Steel—The corrosion rate for steel ground support and invert support steel may be greater because of MIC and is the only potentially significant effect of microbial activity on the bulk chemical environment. Steel corrosion will consume oxygen and lower the O2 fugacity in the drift environment. As a sensitivity study reported in Section 6.7 of this report, abiotic measured rates for corrosion of steel are multiplied by a factor of 6 to represent accelerated corrosion from MIC (Assumption 5.4.5 and Table 17). 6.4.7 Microbial Effects Model Validation The Microbial Effects threshold model is based on information from the literature, describing the environmental conditions for which microbial growth and activity are observed. The model is bounding in the sense that extreme microbial observations (e.g. halophiles and hyperthermophiles) are included, but these types of organisms will not necessarily be important in the potential repository. The basic threshold conditions for growth and activity are relative humidity (> 90 percent, or lower if halophiles are active) and temperature (< 120°C). No distinction is made between environmental conditions necessary for microbial activity, and for biofilm development, which is conservative. Use of these conditions constitutes a valid model that is based on accepted information. 6.4.8 Summary Investigations over the past 10 yr at Yucca Mountain and elsewhere have demonstrated that bacteria and fungi are important components of what was previously regarded as abiotic chemistry of deep subsurface environments. Bacteria are present in the host rock at Yucca Mountain, and laboratory testing has shown that when moisture and tuff or other sources of nutrients are available, these bacteria can produce MIC of carbon steel and waste-package materials. Microbial growth and activity in the host rock are limited by the availability of water and nutrients such as phosphate. Dryout of the EBS during the repository thermal period will further limit water, arresting microbial growth and activity. The threshold model addresses the time until the return of microbial growth and activity based on environmental factors. Observations of temperature dependence reported in the published literature show that no microbial activity will occur at temperatures greater than 120°C in aqueous environments. Reported dependence on humidity shows that growth and activity do not generally occur at less than approximately 90% relative humidity. When salts are present, the threshold humidity will decrease, depending on the deliquescence behavior of the salts. ANL-EBS-MD-000033, REV 00 ICN 1 163 July 2000 In principle, bacteria are capable of degrading all EBS materials. The primary electron donors in the EBS will be metals (such as steel) or metal ions in reduced form (such as the ferrous ion). The primary electron acceptors will be sulfate, nitrate, and gas-phase oxygen. The backfill will consist of clean, washed quartz sand, which is not an energy source. No microbial growth or activity will occur in the EBS where the temperature exceeds 120°C. Below a humidity threshold of approximately 90%, or less in the presence of salts, MIC is not expected to occur. EBS water-diversion features (including the drip shield) will protect the waste package during the thermal period and beyond. No salts or necessary nutrients such as phosphate will be deposited on the waste package as long as the drip shield is intact and functions as intended. Unless there is sufficient tuff dust on the package, even if relative humidity is greater than 90% under the drip shield, MIC of the waste package may be negligible until drip-shield failure occurs. If liquid water penetrates the drip shield, or the waste package comes into direct contact with backfill or invert materials, MIC of the waste package can occur. The Microbial Effects Model is used to develop a set of threshold conditions for microbial growth and activity, based on information from the literature, describing the environmental conditions for which microbial growth and activity are observed. The model is bounding in the sense that extreme microbial observations (e.g. halophiles and hyperthermophiles) are included, but these types of organisms will not necessarily be important in the potential repository. No distinction is made between environmental conditions necessary for microbial activity, and for biofilm development, which is conservative. Use of these conditions constitutes a valid model that is based on accepted information. In general, it is shown that the model has an appropriate level of confidence suitable for its intended use. 6.5 NORMATIVE PRECIPITATES AND SALTS MODEL Water that enters the drift during the thermal period (as seepage or unsaturated flow) will tend to evaporate, leading to increased solution concentration and eventually complete dryness. As solution ionic strength exceeds approximately 1 molal, extended Debye-Huckel theory for solute activity at elevated temperature does not apply (Wolery and Daveler 1992; pp. 25-26). Rather than rely on the Pitzer approach for activity modeling, which has data support for a limited variety of chemical species at 25°C only, this model presents an alternative approach based on experimental observations. Given water composition that is close to chemical equilibrium with Topopah Spring tuff, a “normative” set of mineral precipitates is developed that represents the products of evaporating the water to dryness. In the Chemical Reference Model, for zones and time periods in which evaporation in the EBS is complete or nearly so, the mineral precipitate and salt species that form are predicted using the insights that underlie the normative approach. 6.5.1 Conceptual Model The chemical composition of waters that could contact the drip shield or waste package is an important factor in assessing corrosion rates. The composition of such waters is dominated by interaction with precipitates formed by previous evaporation. For example, for corrosion modeling, if chloride and sulfate salts form because of evaporation, the water composition during evaporation and during redissolution of those salts during cooldown will be a saturated brine; if ANL-EBS-MD-000033, REV 00 ICN 1 164 July 2000 carbonate or hydroxide precipitates form instead, the different chemical conditions will prevail. Of particular interest, therefore, is the nature of salts that precipitate. 6.5.2 Evaporation Tests with Synthetic J-13 Water and Synthetic Porewater Laboratory batch tests were conducted at Lawrence Livermore National Laboratory in 1998 and 1999 (DTN LL991008004241.041 and DTN LL991008104241.042). In the first two tests, 30 L of synthetic J-13 well water was evaporated down to 30 mL, resulting in an evaporative concentration factor of approximately 1000´. In all tests, the actual concentration factors were estimated by total mass measurements and are accurate to approximately 10%. Synthetic J-13 water was pumped into a 1-L Pyrex™ beaker at a constant rate using a peristaltic pump while the sample evaporated at 85°C; a hot plate was used as the heat source. The fluid-delivery rate and heat flux were balanced to maintain constant temperature in the fluid contained within the beaker. The tests were performed at sub-boiling conditions to represent evaporation of slowly migrating waters in the EBS, such as would occur in an engineered backfill material with porous medium characteristics. The 85°C temperature is similar to predicted conditions for inflow to the potential repository during the thermal period, should it occur, while maintaining subboiling conditions for the test. The assemblage of mineral phases resulting from the evaporation is controlled predominantly by precipitation kinetics at these temperatures, and it is thought that the assemblages observed are representative of repository conditions. In the first test (evap1), detailed chemical analysis was performed on the initial starting water composition and on a sample collected after approximately 1000´ concentration. A small split of the solids that had precipitated at the 1000´ stage (not yet dry) was collected for mineralogic analysis. The solution was then evaporated to complete dryness, and another small split of the solids was collected. The remaining solids were then rewet with 200 mL of deionized water and evaporatively concentrated to 100 mL at 75°C; the resulting solution was collected for detailed water-chemistry analysis. The rewetting step was incorporated to evaluate the reproducibility of precipitate formation at supersaturated conditions. Three water compositions (including the initial solution) and two solid samples were analyzed for this test. In a second test (evap2), the protocol was the same as for the first test except that the beaker contained 10 g of crushed Topopah Spring welded tuff (Yucca Mountain Site Characterization Project Sample Management Facility Specimen ID #00521699). The tuff was prepared by sieving the original material (<2 mm grain size) to >0.5 mm to remove the fine fraction. The sized material was washed three times in isopropanol. The grains were allowed to settle, before decanting, to remove adhering fine particles and were then allowed to air dry. The test was taken to complete dryness, and a rewetting step was incorporated as described previously. Three water compositions (including the initial solution) and two solid samples were analyzed for this test. The pH of the rewet samples for both the evap1 and evap2 tests was measured. A third test (evap4) was conducted to further investigate the evolution of pH during a relatively short-term evaporative concentration to approximately 100´. The initial and final solutions were sampled for complete chemical analysis. Note that in this experiment, two data sets were combined: one from a four-day run with pH measured at time intervals of approximately 2 hr, and another from ANL-EBS-MD-000033, REV 00 ICN 1 165 July 2000 a run lasting only 3 hr with pH measured at intervals of approximately 20 minutes. In the description of results that follows, the two runs are combined in order of concentration factor and Table 41. Evolution of Water Composition in Test with Synthetic J-13 Water (evap1) Species (mg/kg) Synthetic J-13 (mg/kg) Species Conc. (mg/kg) w/ Evap. Factor: 956´ A Concentration Ratio Rewet B (mg/kg) Concentration Ratio Ca 6.4 29.86 4.7 3.48 0.54 Cl– 6.9 4,835 701 1,773 257 F– 2.2 1,550 705 530 241 HCO3 – 108 24,878 231 9,539 88.3 K 5.3 4,792 904 1,364 257 Mg 2.2 0.14 0.06 0.09 0.04 Na 46 44,082 958 12,512 272 NO3 – 8.0 5,532 694 2,016 252 SO4 2– 18.1 12,926 714 4,631 256 SiO2(aq) 11.3 18,008 1,594 C 3,606 319 pH 7.84 D 10.59 DTN: LL991008104241.042 NOTES: A 30 L of synthetic J-13 well water was evaporated to 30 mL, resulting in a concentration factor of approximately 1000´. B After evaporation to complete dryness, the solids were rewet with 200 mL of deionized water and evaporatively concentrated to 100 mL. C The apparent concentration ratio for SiO2 is greater than that estimated from total mass measurements and the concentration ratios for other ions, possibly because of analytical errors associated with the high ionic strength. D Not analyzed Table 42. Evolution of Water Composition in Test with Synthetic J-13 Water and Tuff (evap2) Species (mg/kg) Avg. Synthetic J-13 (mg/kg) Species Conc. (mg/kg) w/ Evap. Factor: 1114´ A Concentration Ratio Rewet B (mg/kg) Concentration Ratio Ca 5.6 6.9 1.2 3 0.5 Cl– 7.2 6123 850 2,349 326 F– 2.2 1,522 691 605 275 HCO3 – 104 31,434 303 13,434 129 K 5.3 3,716 702 1,553 292 Mg 2.1 < 0.28 C < 0.08 C Na 44.3 37,713 851 14,520 327 NO3 – 7.8 6,729 863 2,598 333 SO4 2– 18.3 15,711 858 6,138 336 SiO2(aq) 9.4 7,118 758 2,691 287 pH 8.03 C 9.99 DTN: LL991008104241.042 NOTES: A 30 L of synthetic J-13 well water was evaporated to 30 ml, resulting in a concentration factor of approximately 1000´. ANL-EBS-MD-000033, REV 00 ICN 1 166 July 2000 B After evaporation to complete dryness, the solids were rewet with 200 mL of deionized water and evaporatively concentrated to 100 mL. C Not analyzed Table 43. Evolution of pH in Short-Term Test with Synthetic J-13 Water (evap4) Concentration Factor pH 1.00 8.46 1.00 8.65 1.05 9.04 1.29 9.43 1.60 9.58 2.41 9.67 6.08 9.67 6.37 9.77 7.59 9.79 11.6 9.95 12.6 10.00 15.3 10.03 20.9 10.08 25.2 10.09 34.4 10.12 52.1 10.18 104 10.18 157 10.18 DTN: LL991008104241.042 NOTE: This table represents the combined results of a four-day run with pH measured approximately every 2 hr and a shorter run lasting only 3 hr, during which pH was measured approximately every20 minutes. Table 44. Evolution of Water Composition in Short-Term Test with Synthetic J-13 Water (evap4) Species (mg/kg) Synthetic J-13 (mg/kg) Species Conc. (mg/kg) w/ Evap. Factor: 157´ Concentration Factor Ca 6.4 1.2 0.01 Cl– 6.9 849 113 F– 2.2 247 103 HCO3 – 108 4,295 42 K 5.3 560 114 Mg 2.2 0.05 0.57 Na 46 5,298 117 NO3 – 8.0 1,050 131 SO4 2– 18.1 2,162 114 SiO2(aq) 11.3 999 100 pH 7.84 10.18 DTN: LL991008104241.042 ANL-EBS-MD-000033, REV 00 ICN 1 167 July 2000 Table 45. Mineralogical Results from Test with Synthetic J-13 Water (evap1) evap1—956´ evap1—Complete Evaporation SiO2 (amorphous) SiO2 (amorphous) aragonite (CaCO3) aragonite (CaCO3) calcite (CaCO3) calcite(CaCO3) halite (NaCl) niter (KNO3) thermonatrite (Na2CO3:H2O) gypsum (CaSO4:2H2O) A anhydrite (CaSO4) A hectorite (Na0.33Mg3Si4O10(F,OH)2) A DTN: LL991008104241.042 NOTE: A Species is a minor constituent, and identification is uncertain. Table 46. Mineralogic Results from Test with Synthetic J-13 Water and Tuff (evap2) Evap2—1114´ a evap2—Complete Evaporation A SiO2 (amorphous) SiO2 (amorphous) trona (Na3H(CO3)2:2H2O) trona (Na3H(CO3)2:2H2O) Thermonatrite (Na2CO3:H2O) thermonatrite (Na2CO3:H2O) halite (NaCl) halite (NaCl) calcite (CaCO3) calcite (CaCO3) Aragonite (CaCO3) aragonite (CaCO3) Anhydrite (CaSO4) anhydrite (CaSO4) smectite (Na.3(Al,Mg)2Si4O10(OH)2) smectite (Na.3(Al,Mg)2Si4O10(OH)2) niter (KNO3) niter (not detected by XRD) DTN: LL991008104241.042 NOTE: A Only the minerals produced by evaporation and not present in the starting tuff are reported here. The major minerals constituting the tuff are probably crystobalite (a), K-feldspar, albite, anorthite, and quartz. Table 47. Mass of Minerals Formed in Tests with Synthetic J-13 Water (evap1 and evap2) Synthetic J-13 well water (evap1) 5.636 g Synthetic J-13 well water with tuff (evap2) 6.468 g DTN: LL991008104241.042 presented as one test. The same starting solution composition was used for both tests. The results of these tests (evap1, evap2, and evap4) are summarized in Table 41 through Table 47. The laboratory batch experiments with SPW conducted at LLNL in 1998 and 1999 were completely analogous to those done with synthetic J-13 well water. An initial test investigated the evaporation of water to dryness (evap3) and a subsequent test added 10 g of Topopah Spring welded tuff (Sample Management Facility Specimen ID #00521699). A third test (evap5) was conducted to investigate the evolution of pH during a relatively short-term evaporative ANL-EBS-MD-000033, REV 00 ICN 1 168 July 2000 Table 48. Evolution of Water Composition in Test with Synthetic Porewater (evap3) Species (mg/kg) SPW (mg/kg) Species Conc. (mg/kg) w/ Evap. Factor: 1243´ Concentration Ratio Rewet (mg/kg) Concentration Ratio Ca 57.2 15,629 273 6,010 105 Cl– 78.0 53,084 681 19,248 247 F– 2.30 < 577 B < 301 B HCO3 – 16.2 < 35 B < 37 B K 4.20 2,779 661 973 232 Mg 11.7 5,478 470 1,949 167 Na 8.20 5,961 727 2,077 253 NO3 – 11.0 B B 2,647 241 SO4 2– 81.7 2,077 25 1,564 19 SiO2(aq) 9.80 513 52 340 35 pH 7.68 6–6.5 A 5.56 DTN: LL991008004241.041 NOTES: A Semiquantitative measurement using pH paper B Not analyzed or determined ANL-EBS-MD-000033, REV 00 ICN 1 169 July 2000 Table 49. Evolution of Water Composition in Test with Synthetic Porewater and Tuff (evap6) Species (mg/kg) SPW (mg/kg) Species Conc. with Evap. Factor: 564´ Concentration Ratio Rewet Concentration Ratio Ca 59.2 12,553 212 10,249 173 Cl– 76.1 37,198 489 30,359 399 F– 2.10 < 248 A < 284 A HCO3 – 20.2 < 60 A < 36 A K 4.10 2,006 488 1,622 395 Mg 12.0 3,615 300 2,889 240 Na 8.70 4,420 508 3,574 411 NO3 – 10.5 5,267 501 4,344 413 SO4 2– 85.2 1,316 15.4 1,516 17.8 SiO2(aq) 11.5 696 60.6 355 30.9 pH 7.52 5.14 5.43 DTN: LL991008004241.041 NOTE: A Not analyzed Table 50. pH and Carbonate Evolution from Short-Term Test with Synthetic Porewater (evap5) Concentration Factor pH HCO3 - (mg/L) 1.00 7.45 24.7 1.06 8.69 A 1.38 9.01 A 1.76 8.99 A 2.31 8.86 A 4.19 8.57 A 6.09 A 20.1 6.36 8.55 A 8.16 8.51 A 8.19 A 19.5 12.0 8.45 19.4 29.9 8.29 14.0 DTN: LL991008004241.041 NOTE: A Not analyzed ANL-EBS-MD-000033, REV 00 ICN 1 170 July 2000 Table 51. Evolution of Water Composition in Short-Term Test with Synthetic Porewater (evap5) Species (mg/kg) SPW (mg/kg) Species Conc. (mg/kg) w/ Evap. Factor: 62´ Concentration Ratio Ca 57.3 1661 29.9 Cl– 76.6 4202 55.6 F– 2.2 37.2 17.7 HCO3 – 20.3 12.1 0.49 K 4.0 248 67.1 Mg 11.8 546 46.6 Na 8.6 490 55.7 NO3 – 10.7 580 55.3 SO4 2– 83.9 1557 18.4 SiO2(aq) 22.2 476 48.4 pH 7.55 7.65 DTN: LL991008004241.041 Table 52. Mineralogical Results from Test with Synthetic Porewater (evap3) evap3—1243´ evap3—Complete Evaporation gypsum (CaSO4:2H2O) gypsum (CaSO4:2H2O) tachyhydrite (CaMg 2Cl6O10:12H2O) DTN: LL991008004241.041 Table 53. Mineralogic Results from Test with Synthetic Porewater and Tuff (evap5) evap6—564´ evap6—Complete Evaporation A gypsum (CaSO4:2H2O) gypsum (CaSO4:2H2O) halite (NaCl) halite (NaCl) Mg-smectite (Na.3(Al,Mg)2Si4O10(OH)2) Kenyaite (NaSi11O20.5(OH) 4:3 H2O)B DTN: LL991008004241.041 NOTES: A Only the minerals produced by evaporation and not present in the starting tuff are reported here. The major minerals constituting the tuff are probably crystobalite (a), K-feldspar, albite, anorthite, and quartz. B Species is a minor constituent and identification is uncertain. ANL-EBS-MD-000033, REV 00 ICN 1 171 July 2000 Table 54. Mass of Minerals Formed in Tests with Synthetic Porewater Synthetic porewater (evap3) A 11 g Synthetic porewater with tuff (evap6) A 15 g DTN: LL991008004241.041 NOTE: A Some of the minerals formed in these experiments were hygroscopic, making it difficult to obtain accurate mass measurements. concentration to approximately 100´ and was conducted in exactly the manner described previously (evap4). The results of these experiments are summarized in Table 48 through Table 54. 6.5.2.1 Collection and Analysis of Aqueous Samples The aqueous samples for cation and anion analyses were collected in plastic syringes. Aliquots were filtered through a 0.45-µm filter that had been prerinsed with one syringe of deionized water. Aliquots for cation analysis were delivered to a plastic sample vial, further diluted with water, and spiked with a concentrated acid solution. Total dilution was determined and ranged from 10- to 15-fold. Aliquots for anion analysis were collected in a similar manner (i.e., prefiltered and diluted with deionized water) using glass sample vials. For analysis of total dissolved inorganic carbon (DIC), a small split of each anion sample was injected directly into an infrared CO2 analyzer in the Geochemistry Laboratory, Building 281, Lawrence Livermore National Laboratory. Speciation of DIC as bicarbonate or carbonate was determined from the measured pH. The anions fluoride, chloride, nitrate, and sulfate were determined using ion chromatography (IC). The analytical protocol supports detection of several other anion analytes, but these four were the only ones (other than the carbonate species) detected in these solutions. Samples were diluted considerably for this method. Cation (Na, K, Ca, Mg, and Si) concentrations were determined using inductively coupled plasma (ICP) emission spectrometry. These sample aliquots were also diluted considerably. The pH measurements were accomplished by sampling the fluid into a plastic syringe and delivering it, at approximately room temperature, gently into a plastic tube containing a calibrated combination pH electrode. (The reported pH data are for ambient temperature; elevated temperature values would be slightly lower because of the temperature effect on H2O ionization.) The solution pH was determined using a method recommended by the National Bureau of Standards (NBS); this is a reproducible potentiometric measurement using a cell consisting of a glass H+ electrode and a reference electrode with a liquid junction. The method is best suited for low ionic strength solutions (i.e., solutions with less than 0.1 molal ionic strength), although useful measurement can be made up to ionic strength as great as that of seawater (approximately 0.7 molal). For J-13 water and similar compositions, measurement is limited to less than 200´ evaporative concentration. Accordingly, pH measurements for the starting solutions and the evap4 test are accurate, but those made for the rewet samples of the evap1 and ANL-EBS-MD-000033, REV 00 ICN 1 172 July 2000 evap2 runs are approximate. No attempt was made to measure the pH of the batches concentrated to 1000´ or greater. 6.5.2.2 Minerals Present in Solids Solids samples (tests evap1 and evap2) were dried, weighed, and analyzed using x-ray diffraction (XRD). The purpose of the XRD analysis was to identify the phases produced, and quantification was not attempted. 6.5.3 Test Results for Synthetic J-13 Water Test results from water composition, pH, and solid-phase observations are summarized in Tables 41 through 47. It is important to note that these results were obtained from an open system (free exchange with gas-phase CO2) under ambient atmospheric composition conditions. Following are some major findings from these tests: . Divalent cations (Ca2+, Mg2+) tend to precipitate early in evaporative evolution, both with and without tuff present (evap1 and evap2), from precipitation of carbonate (probably calcite and low-Mg calcite). . Halite and niter apparently contain the chloride and nitrate from the starting solution. Niter is among the last solids to precipitate. . Polymorphic phases (e.g., aragonite and calcite; anhydrite and gypsum) indicate that solubility constraints changed substantially during the final stages of evaporation. . Test results provided no indication of hydroxides (portlandite, NaOH) for evaporation under ambient atmospheric composition conditions. . The pH of the rewet solution without tuff present (evap1) was 10.59, which probably represents carbonate buffering. . The measured pH of the rewet solution with tuff present (evap2) was 9.99, compared to pH 10.59 without tuff (evap1), probably from buffering associated with dissolution of SiO2 and silicates. . pH is approximately 10 to 11 for concentrated J-13 waters up to approximately 150´, with and without tuff present, under ambient atmospheric conditions (pH value measured at ambient temperature). . The Si concentration was lower in the concentrated evap2 solutions than in the evap1 solutions, which suggests that the presence of the silicate and aluminosilicate minerals in the tuff enhances precipitation. . The presence of tuff appears to have little effect on relative concentrations of the anions, except for fluorides; this indicates that fluorite precipitation may be enhanced by increased Ca concentration derived from tuff. (Flourite was not detected, probably because it was a minor species.) ANL-EBS-MD-000033, REV 00 ICN 1 173 July 2000 . With tuff present in the ~1000´ solution (evap2), the absolute amounts of Na and K are lower relative to the test with no crushed tuff present (evap1), even though the concentration factor is estimated to be greater in this case (1114´ vs. 956´). . The clays found in the 1000´ sample were separated and found to be a mixture of dioctohedral smectite (probably montmorillonite) and trioctohedral smectite (hectorite, stevensite, or saponite). 6.5.4 Test Results for Synthetic Porewater Test results from water composition, pH, and solid-phase observations are summarized in Tables 48 through 54. It is important to note that these results were obtained from an open system (free exchange with gas-phase CO2) under ambient atmospheric composition conditions. Following are some major findings from these tests: . Sulfate is the predominant anion; therefore, the effects of carbonate species are substantially less important in the synthetic porewater tests. . The pH decreases to approximately 5.5 to 6.0, with evaporative evolution of the Ca-sulfate porewater, instead of increasing to pH ~10 as was observed for the J-13 water. . Larger discrepancies between the concentration factors computed from measured species concentrations and the total mass concentration factor are noted for the porewater tests when compared to the J-13 water tests. For species such as chloride (Table 48), the apparent concentration factor for dissolved species was substantially less than the total mass concentration factor. This probably occurred because the greater dissolved-solids content of the starting porewater solution caused the system to approach or exceed solubility equilibrium during evaporation, so that more precipitates formed, and there was greater potential for suspended, precipitated solids to contribute to the chemical analyses. Comparison of results from analogous tests using synthetic J-13 and porewater (e.g., Table 41 and Table 48) shows that bicarbonate waters such as J-13 are more sensitive to CO2 fugacity, particularly during evaporation, and more likely to produce high-pH conditions than are sulfatetype waters such as the synthetic porewater. Selection of J-13 water composition for investigating the EBS chemical environment is therefore bounding with respect to alkaline pH. The J-13 composition is used for the Chemical Reference Model in Section 6.7. The foregoing conclusion is insensitive to differences between the compositions of synthetic waters, and natural waters, as represented in Table 19 and Table 20. This is because the important aspect of solution composition that determines pH on evaporation, is the proportion of bicarbonate to other anions. The exact proportion of bicarbonate is not critical, if a significant amount of CO2 is present, and it is the only species controlled by a fixed-fugacity boundary condition. ANL-EBS-MD-000033, REV 00 ICN 1 174 July 2000 6.5.5 Normative Concept and Predictive Model For waters having composition similar to the synthetic J-13 and synthetic porewater, a set of precipitates is identified that is consistent with the observations reported in Table 45 and Table 52 for total evaporation. Nitrate, Fluoride, and Chloride Salts The first precipitates treated in the model are the noncarbonate and nonsulfate salts which are most likely to form. For example, nitrate is most likely to precipitate as niter (KNO3), which is the likely disposition for all nitrate (Table 55). The amount of KNO3 that forms is determined by the molality of K or NO3, whichever is smaller. This calculation can be written ) s ( 3 KNO initial , K remain , K ) s ( 3 KNO initial , 3 NO remain , 3 NO 3 3 C C C C C C ) NO , K min( ) s ( KNO - = - = = (Eq. 37) where CKNO3(s) = Moles of niter precipitated CNO3,initial = Initial concentration of nitrate (mol/kg) CNO3,remain = Concentration of nitrate remaining in solution (mol/kg) CK,initial = Initial concentration of potassium (mol/kg) CK,remain = Concentration of potassium remaining in solution (mol/kg) If there is insufficient potassium to precipitate all the nitrate, sodium is used to form Na-niter (NaNO3). Next, fluorite (CaF2) is formed from Ca and fluoride, which is reasonable because of its relative insolubility. Any remaining fluoride is precipitated as villiaumite (NaF), which is reasonable because sodium is abundant and NaF is also relatively insoluble. Next, any excess potassium is precipitated as sylvite (KCl); then halite (NaCl) is precipitated, limited by the available sodium or chloride, whichever is less. For J-13 water, these steps will eliminate nitrate, chloride, fluoride, and potassium from the solution. For the synthetic porewater, some chloride may remain as discussed below. ANL-EBS-MD-000033, REV 00 ICN 1 175 July 2000 Table 55. Normative Mineral Assemblage Algorithm for Evaporation of Waters Similar to J-13 Under Near-Atmospheric CO2 Conditions Minerals in Assemblage Remarks a Niter (KNO3) Use all nitrate or all potassium Na-niter (NaNO3) Use all remaining nitrate Fluorite (CaF2) Use all fluoride Villiaumite (NaF) Use all remaining fluoride Sylvite (KCl) Use all remaining potassium Halite (NaCl) Use all sodium or chloride Mg-smectite (Mg0.165Al2.33Si3.67O10(OH)2) Use all magnesium or aluminum Ca-smectite (Ca0.165Al2.33Si3.67O10(OH)2) Use all calcium or aluminum Na-smectite (Na0.33Al2.33Si3.67O10(OH)2) Use all remaining aluminum Thenardite (Na2SO4) Use all sodium or all sulfate Anhydrite (CaSO4) Use all remaining sulfate Calcite (CaCO3) Use all remaining calcium (CO2 is from open-system) Thermonatrite (Na2CO3:H2O) Use all remaining sodium (CO2 is from open-system) Amorphous silica (SiO2) Use all remaining silica Clays The next species considered in the normative approach are smectites (e.g., beidellite compositions). For waters similar to J-13, clays can form in relatively small amounts, limited by the available Al in solution. Mg-smectite, Ca-smectite, and ultimately Na-smectite composition are used as needed to precipitate the Al. The approach does not include precipitates that could accommodate Mg in excess of the Al or instead of Mg-smectite. However, calcite is included in the model, and a low-Mg calcite would be plausible in this case. With an open-system, constantfugacity condition placed on CO2, the choice of clay or calcite as the endpoint for a minor amount of Mg is not critical. Sulfates and Carbonates Thernardite is then used to precipitate sulfate, although gypsum and anhydrite were suspected or detected in the laboratory tests (Table 45 and Table 46). This selection is based on thermodynamic arguments presented below, which show that: . Anhydrite (CaSO4) is thermodynamically favored over gypsum (CaSO4:2H2O) for the humidity conditions calculated for the EBS. . Calcite (CaCO3) is thermodynamically favored over portlandite (Ca(OH)2) for the CO2 fugacity conditions calculated for the EBS. . Thenardite (Na2SO4) and calcite (CaCO3) are a more stable assemblage than thermonatrite (Na2CO3:H2O) and anhydrite (CaSO4), therefore thenardite is the more likely sulfate precipitate. ANL-EBS-MD-000033, REV 00 ICN 1 176 July 2000 Accordingly, thenardite is used to precipitate all the sulfate. If there is insufficient Na to precipitate all of the sulfate (e.g., as in synthetic porewater), anhydrite could form at the expense of calcite. This could happen sequentially so that anhydrite and thenardite are not in equilibrium. With the open-system, constant-fugacity condition placed on CO2, the choices of thenardite vs. anhydrite and calcite vs. portlandite have a limited effect on pH during evaporation or redissolution (Assumption 5.5.1). Next, any remaining chloride is precipitated as tachyhydrite (CaMg2Cl6O10:12H2O), which was observed in the laboratory tests with synthetic porewater. Calcite is then used to precipitate the remaining Ca, and thermonatrite is used to precipitate the remaining Na. Any remaining magnesium is precipitated as either Mg-calcite or dolomite, which are represented stoichiometrically by magnesite (MgCO3). Silica The final species to precipitate is amorphous silica (SiO 2), which was detected in all of the laboratory samples derived from the synthetic J-13 water (Table 45 and Table 46). Amorphous silica is used to precipitate all the remaining silica, leaving only trace species and minor amounts of major species, all of which have limited influence on bulk chemical conditions. The normative approach described in Table 55 and Equation 37 is implemented in two spreadsheet software routines that are used to calculate the amounts of precipitates that form where evaporation is complete, or nearly so, as determined from thermal-hydrology calculations: . “Zone3-4_L4C4_ui_hiCO2_normativeV1.2.xls” describes precipitation of a normative mineral assemblage in the backfill over the drip shield, during the time interval 300 to 700 yr, for the L4C4 location with the “upper” infiltration distribution. . “Zone5-6_L4C4_ui_hiCO2_normativeV1.2.xls” describes precipitation of a normative mineral assemblage in the lower backfill and invert, during the time interval 700 to 1500 yr, for the L4C4 location with the “upper” infiltration distribution. The routines are used in conjunction with thermal-chemical modeling code EQ3/6, for the Chemical Reference Model (Section 6.7). 6.5.6 Supporting Discussion of Mineral Assemblage Stability Mineral stability is evaluated using reaction equations that relate alternative species or assemblages. For reactions involving H2 O or CO2, equilibrium between alternatives (i.e., between both sides of the equation) implies fugacity values. These can be compared with independent information about the EBS environment to infer whether equilibrium can exist or, if not, which alternative is more plausible. This approach is not exhaustive but can be used to compare specified alternatives. Anhydrite vs. Gypsum Equilibrium between anhydrite and gypsum involves water of hydration and can be written as follows: ANL-EBS-MD-000033, REV 00 ICN 1 177 July 2000 O(g) 2H (s) CaSO O 2H : CaSO 2 4 2 4 + = (Eq. 38) where (s) and (g) signify solid minerals and gas (or vapor), respectively. This can be rewritten in terms of the constituent reactions 9034 . 4 K log O(aq) 2H + (aq) SO (aq) Ca O(s) 2H : CaSO C gypsum,100 2 2 4 + 2 2 4 - = + = ° - (Eq. 39) 3851 . 5 K log (aq) SO (aq) Ca (s) CaSO C 100 anhydrite, 2 4 2 4 - = + = ° - + (Eq. 40) where (aq) denotes dissolved aqueous species, and log K is the base 10 logarithm of the equilibrium constant for the reaction (subscripts indicate 100°C). Log equilibrium constant values used in this discussion are taken directly from the file “data0.com.R2” supplied with EQ3/6 V7.2b. For example, the equilibrium constant for Equation 39 is 2 2 2 4 2 2 4 C 100 anhydrite, gypsum O) (H O(s) 2H : CaSO O) (H (s) CaSO K = = ° - (Eq. 41) Expressions in parentheses are chemical activities, and the activities for the CaSO4:2H2O and CaSO4 solids are defined as unity. Reversing Equation 40 and adding to Equation 40 yields Equation 39, with equilibrium constant 4817 . 0 3851 . 5 9034 . 4 logK logK logK C 100 anhydrite, C gypsum,100 C 100 anhydrite, gypsum = + = - = ° ° ° - (Eq. 42) atm 7412 . 1 10 O H 2 / 4817 . 0 2 = = (Eq. 43) For gypsum and anhydrite to exist in equilibrium requires water vapor pressure of 1.741 atm, and, at 100°C, anhydrite is more stable than gypsum at lower pressures. At 60°C, the log K values yield ANL-EBS-MD-000033, REV 00 ICN 1 178 July 2000 6093 . 4 logK C gypsum,60 - = ° (Eq. 44) 7587 . 5 logK C 60 anhydrite, - = ° (Eq. 45) atm 1.188 10 O H 0.1494/2 2 = = (Eq. 46) which confirms that anhydrite is favored at elevated temperatures less than boiling. Calcite vs. Portlandite Equilibrium between calcite and portlandite involves H2 O and CO2 and can be written as follows: (g) CO (s) Ca(OH) O(g) H (s) CaCO 2 2 2 3 + = + (Eq. 47) This can be rewritten in terms of the constituent reactions: 6246 . 16 logK (g) CO CaO(s) (s) CaCO C lime,100 - calcite 2 3 - = + = ° (Eq. 48) 7745 . 7 logK (s) Ca(OH) O(g) H CaO(s) C e,100 portlandit - lime 2 2 = = + ° (Eq. 49) The equilibrium constant for Equation 47 is O) (H ) (CO O) (H (s) CaCO ) (CO (s) Ca(OH) K 2 2 2 3 2 2 C e,100 portlandit calcite = = ° - (Eq. 50) ANL-EBS-MD-000033, REV 00 ICN 1 179 July 2000 The activities for the Ca(OH)2 and CaCO3 solids are defined as unity. Adding Equations 48 and 49 yields reaction Equation 47, with equilibrium constant 8501 . 8 logK logK logK C e,100 portlandit lime C lime,100 calcite C e,100 portlandit calcite - = + = ° - ° - ° - (Eq. 51) 9 8501 . 8 2 2 10 412 . 1 10 O) (H ) (CO - - ´ = = (Eq. 52) Calcite and portlandite existing in equilibrium requires CO2 fugacity that is much smaller than H2O fugacity (approximately 1 atm at 100°C). The CO2 fugacities predicted in Section 6.2 of this report are much greater than 10–9 atm, as are those predicted by other methods, as discussed in Section 7.2 Accordingly, calcite is favored over portlandite at CO2 conditions expected in the repository. At 60°C, the log K values yield 6249 . 19 logK C lime,60 calcite - = ° - (Eq. 53) 6004 . 9 logK C e,60 portlandit lime = ° - (Eq. 54) 11 0245 . 10 2 2 10 452 . 9 10 O) (H ) (CO - - ´ = = (Eq. 55) which shows that calcite is favored over portlandite at all temperatures of interest. Thenardite +Calcite vs. Thermonatrite +Anhydrite Equilibrium between thermonatrite+anhydrite and between thenardite+calcite involves CO2 and can be written as follows: O(g) H (s) CaCO (s) SO Na (s) CaSO O(s) H : CO Na 2 3 4 2 4 2 3 2 + + = + (Eq. 56) ANL-EBS-MD-000033, REV 00 ICN 1 180 July 2000 This can be rewritten in terms of the constituent reactions: 9856 . 9 logK O(g) H HCO 2Na H O(s) H : CO Na C ite,100 thermonatr 2 3 2 3 2 = + + = + ° - + + (Eq. 57) 3851 . 5 logK SO Ca (s) CaSO C 100 anhydrite, - 2 4 2 4 - = + = ° + (Eq. 58) 7048 . 0 logK SO 2Na (s) SO Na C ,100 thenardite 2 4 4 2 - = + = ° - + (Eq. 59) 0609 . 18 logK O 2H Ca 2H ) (s Ca(OH) C e,100 portlandit 2 2 2 = + = + ° + + (Eq. 60) 6246 . 16 logK (g) CO CaO(s) (s) CaCO C lime,100 - calcite 2 3 - = + = ° (Eq. 61) 7745 . 7 logK (s) Ca(OH) O(g) H CaO(s) C e,100 portlandit - lime 2 2 = = + ° (Eq. 62) 3574 . 8 logK HCO H O H (g) CO C HCO3,100 CO2 3 2 2 - = + = + ° - - + (Eq. 63) The equilibrium constant for Equation 56 is ) O (H (s) O(s)CaSO H : CO Na ) O (s)(H (s)CaCO SO Na K 2 4 2 3 2 2 3 4 2 C ,100 thenardite ite thermonatr = = ° - (Eq. 64) ANL-EBS-MD-000033, REV 00 ICN 1 181 July 2000 The activities for solids are defined as unity. Reversing Equations 59 through 63 and adding Equations 57 through 63 yields reaction Equation 57, with equilibrium constant 4519 . 4 logK C ,100 thenardite ite thermonatr = ° - (Eq. 65) 4 4519 . 4 2 10 831 . 2 10 O H ´ = = (Eq. 66) Driving reaction Equation 56 to the left, stabilizing thermonatrite and anhydrite, requires unrealistically large water fugacity (Equation 66). Thenardite and calcite (the right-hand side of Equation 56) can coexist at reasonable water pressures and are therefore the favored assemblage at or near 100°C. At 60°C, the log K values yield 4500 . 10 logK C ite,60 thermonatr = ° (Eq. 67) 7587 . 4 logK C 60 anhydrite, - = ° (Eq. 68) 4382 . 0 logK C ,60 thenardite - = ° (Eq. 69) 1961 . 20 logK C e,60 portlandit = ° (Eq. 70) 6249 . 19 logK C lime,60 calcite - = ° - (Eq. 71) 6004 . 9 logK C e,60 portlandit lime = ° - (Eq. 72) ANL-EBS-MD-000033, REV 00 ICN 1 182 July 2000 0527 . 8 logK C HCO3,60 CO2 - = ° - (Eq. 73) 4 0106 . 4 2 10 0247 . 1 10 O) (H ´ = = (Eq. 74) which shows that, at temperatures of interest, the assemblage thenardite+calcite is favored over anhydrite and portlandite. 6.5.7 Application of Normative Model to Laboratory Test Results In this section, the normative approach described previously and summarized in Table 55, is applied quantitatively to the complete evaporation of synthetic J-13 water and synthetic porewater used in laboratory tests (Table 45 and Table 52). These tests best represent waters that enter the EBS and evaporate in quartz sand. Quartz has low solubility relative to other phases in the host rock (e.g., cristobalite) that contribute Si, and the dissolution and precipitation rates for quartz are kinetically limited; thus, interaction of quartz with rapidly evaporating waters is likely to be minor. The expression of quartz dissolution would be increased dissolved silica, which might enhance precipitation of silicates and SiO 2. However, as will be shown in following text, the formation of aluminosilicates is limited by availability of aluminum, and the entering waters already contain excess Si that precipitates as amorphous silica. Therefore, quartz is considered to be relatively inert in the normative approach. Precipitates formed upon evaporation of synthetic J-13 water and synthetic porewater are modeled using spreadsheet routines “normative_hiCO2_synJ13V1.2.xls” and “normative_hiCO2_SPWV1.2.xls,” respectively. The normative solutions are compared with qualitative observations from the laboratory tests in Table 56 and Table 57. The results are summarized as follows: . Calcite, halite, niter, and thermonatrite are identified as products of J-13 evaporation in both models. . Observation of aragonite indicates that different carbonates are precipitated at different stages of evaporation of synthetic J-13 water. . For synthetic J-13 water, thenardite is identified in the normative assemblage in lieu of gypsum and anhydrite. . Minor species such as sylvite (or an alternative potassium-bearing phase) identified by the normative model for synthetic J-13 water may not have been detected by XRD. . Minor species such as the niters, fluorite, halite, and calcite identified by the normative model for synthetic porewater may not have been detected by XRD. (The highly ANL-EBS-MD-000033, REV 00 ICN 1 183 July 2000 deliquescent salts such as niter may have dissolved from exposure to humidity, prior to XRD.) The normative model for evaporation of synthetic porewater produces a residual amount of chloride (approximately 4.03 ´ 10–4 mol/kg, as shown in file “normative_hiCO2_SPWV1.2.xls”; worksheet: Evaporation). This amount is small and could result from charge imbalance associated with analytical error. Table 56. Normative Model for Precipitates Formed from Evaporating 1 kg of Synthetic J-13 Water, Compared with Qualitative Laboratory Observations Predicted Normative Species Predicted Moles/kg Observed Species Species Constituting >90% of Total Molality silica (amorphous) 3.702E–04 SiO2 (amorphous) thermonatrite (Na2CO3:H2O) 6.917E–04 thermonatrite (Na2CO3:H2O) halite (NaCl) 1.975E–04 halite (NaCl) thenardite (Na2SO4) 1.926E–04 gypsum (CaSO4:2H2O) a anhydrite (CaSO4) a niter (KNO3) 1.274E–04 niter (KNO3) calcite/Aragonite (CaCO3) 8.208E–05 calcite (CaCO3) aragonite (CaCO3) Remaining Species magnesite (MgCO3) b 8.638E–05 hectorite (Na0.33Mg3Si4O10(F,OH)2) a fluorite (CaF2) 6.263E–05 sylvite (KCl) 5.594E–06 DTN: LL991008104241.042 (observed species) NOTES: a A minor constituent; identification is uncertain. b Magnesium may precipitate as Mg-calcite but is represented stoichiometrically as magnesite. ANL-EBS-MD-000033, REV 00 ICN 1 184 July 2000 Table 57. Normative Model for Precipitates Formed from Evaporating 1 kg of Synthetic Porewater, Compared with Laboratory Qualitative Observations Predicted Normative Species Predicted Moles/kg Observed Species Species Constituting >90% of Total Molality Gypsum/anhydrite (CaSO4) 8.734E–04 gypsum (CaSO4:2H2O) Tachyhydrite (CaMg 2Cl6O10:12H2O) 2.427E–04 tachyhydrite (CaMg 2Cl6O10:12H2O) Silica (amorphous) 3.702E–04 Calcite (CaCO3) 2.567E–04 Halite (NaCl) 3.021E–04 Remaining Species Niter (KNO3) 1.023E–04 Na-niter (NaNO3) 7.025E–05 fluorite (CaF2) 5.684E–05 DTN: LL991008004241.041 (observed species) 6.5.8 Normative Model Validation In this section, the normative approach described previously and summarized in Table 55, is applied quantitatively to the complete evaporation of synthetic J-13 water and synthetic porewater used in laboratory tests (Table 56 and Table 57). In these tables, compositionally equivalent predicted species (e.g. calcite and aragonite) are grouped. Also, observed and predicted species are grouped for comparison, even where they have different composition (e.g. thenardite and gypsum or anhydrite). The comparisons shown in Tables 56 and 57 show that the normative approach can produce qualitative agreement for the synthetic J-13 water and synthetic porewater. Silica, thermonatrite, halite, niter, and calcite (or aragonite) are identified as major products of J-13 evaporation in both the predictions and observed data. The normative model predicts thenardite to form where gypsum and anhydrite are observed, so there evidently is some sensitivity to the relative availability of Ca and Na, which is not accounted for in the model. Minor species such as sylvite (or an alternative potassium-bearing phase) identified by the normative model for synthetic J-13 water may not have been detected by XRD. Similarly, minor species such as the niters, fluorite, halite, and calcite, and amorphous silica, which are predicted by the normative model for synthetic porewater, were not detected by XRD. From the above discussion, the normative model is valid for its intended use. It provides a valid approximation to the major species formed on complete evaporation of waters with composition similar to J-13 water, and matrix porewater. It does not account for mineral replacement (e.g., gypsum vs. anhydrite) caused by commingling of precipitates with concentrated solutions. Accordingly, for species identification (e.g. salts that can form on the drip shield) this should be taken into account by inclusion of all possible minerals that can form. ANL-EBS-MD-000033, REV 00 ICN 1 185 July 2000 6.5.9 Summary 6.5.9.1 Evaporation of Synthetic J-13 Water and Synthetic Porewater The trends in solution chemistry for the evap1 and evap2 tests using synthetic J-13 water (Table 41 through Table 44) are consistent with the XRD results for solid precipitates produced. The presence of the tuff allows for more geochemical processes to occur, particularly mineral dissolution an d precipitation and silicate buffering. Test results for synthetic J-13 water are sensitive to the ambient atmospheric CO2 fugacity, which limited pH to the range 10 to 11 for evaporative concentration values up to 150´ and probably greater. Smaller values for the CO2 fugacity will tend to cause higher pH. Thus, if corrosion processes are sensitive to high pH, the 10.59 value measured in this set of tests (Table 41) is a lower bound. Bicarbonate-type waters such as J-13 water are more sensitive to CO2 fugacity, particularly during evaporative concentration, and are more likely to produce high-pH conditions than are sulfate-type waters such as the synthetic porewater investigated. The synthetic J-13 results are therefore bounding with respect to high-pH conditions at the surface of the drip shield or the waste package during the thermal period. Sulfate-type or chloride-type waters tend to produce much lower pH values when concentrated evaporatively (4 pH units lower than bicarbonate-type waters, in the laboratory tests) and are therefore not bounding compositions (Assumption 5.1.6). The J-13 water composition (Harrar et al. 1990) is therefore used as the compositional boundary condition for the Chemical Reference Model (Section 6.7). Experimental results for synthetic J-13 water (with and without tuff) show that evaporative concentration factors greater than 150´ are required for pH >10. Thus, the potential volumes and flow rates of affected solutions will be small. Saturation of the backfill in affected regions will be small, as will the relative permeability, and the consequent mobility of concentrated solutions. If a water composition that is similar to, but more dilute than, J-13 water (e.g., condensate) is used, the results will be similar to the synthetic J-13 results presented here; however, greater evaporative concentration factors would be required to achieve the same high pH values. Thus, the mass of solute involved, and the potential volume of high-pH liquid, would be smaller. 6.5.9.2 Normative Model Uncertainties The principal uncertainty associated with this model is caused by simplification of the reaction path that culminates in complete evaporation. Precipitates that form relatively early in the evolution of the mineral assemblage, are exposed to aqueous solution conditions, and are therefore available to redissolve and participate in further precipitation reactions. The implication is that salts can form other than those predicted. For example, the normative model predicts thenardite to form where gypsum and anhydrite are observed, so there evidently is some sensitivity to the relative availability of Ca and Na, which is not accounted for. Minor species such as sylvite (or an alternative potassium-bearing phase) identified by the normative model for synthetic J-13 water may not have been detected by XRD. Similarly, species such as the niters, fluorite, halite, and calcite, and amorphous silica, which are predicted by the normative model for synthetic porewater, were not always detected by XRD. Comparison to test data is therefore ANL-EBS-MD-000033, REV 00 ICN 1 186 July 2000 important with this approach, and extension to alternative starting solution compositions should be verified by testing. Another uncertainty for low-CO2 conditions that may be encountered in the potential repository during the thermal period, it is that sufficient CO2 will be present to produce thermonatrite and calcite (Assumption 5.5.1). If this assumption is incorrect, portlandite or NaOH could precipitate in the EBS (e.g., on the drip-shield surface). This could have different implications for corrosion of metallic barriers. Thermodynamic equilibrium calculations show that sufficient CO2 is likely to be available to prevent hydroxide formation, but test data for low-CO2 conditions are unavailable. 6.5.9.3 Summary Remarks The normative model for precipitate formation incorporates observations from the laboratory tests on synthetic J-13 water, synthetic porewater, and thermodynamic insights. A set of mineral precipitates is identified (Table 55) that can accommodate all the major ions and many of the minor species that constitute waters similar to J-13. Application of the model to the laboratory test results (Table 56 and Table 57) shows qualitative agreement with most major precipitates identified by XRD, while incorporating other species (not detected) as needed for mass balance. From the foregoing discussion, the normative model is determined to be valid and have an appropriate level of confidence suited for its intended use. It provides a valid approximation to the major species formed on complete evaporation of waters with composition similar to J-13 water, and matrix porewater. It does not account for mineral replacement (e.g., gypsum vs. anhydrite) caused by commingling of precipitates with concentrated solutions. Accordingly, for species identification (e.g. salts that can form on the drip shield) this should be taken into account by inclusion of all possible minerals that can form. 6.6 EBS COLLOIDS MODEL This model bounds the impact of ferric-oxide and ferric-oxyhydroxide colloids on RN transport in the invert, specifically considering the impacts resulting from use of steel in the EBS. The results show that the effect of steel in the EBS is bounded, depending on the affinity of corrosion products for radionuclides of interest (e.g. Pu). In this model the size distribution and maximum concentration of colloids are estimated from natural analogs, and assumed to be entirely hematite colloids. Other colloid types may be present including clays, silica, and waste form colloids (spent fuel or waste glass). Laboratory results discussed below indicate that ferric-oxide colloids have greater affinity for radionuclides of interest than silica or clays. However, waste form colloids have the potential to transport radionuclides and are not considered in this model, therefore the model may not bound the overall potential for colloidal transport. 6.6.1 Introduction Aqueous colloids are suspensions of solid particles in water. The diameters of the particles typically range from a few nanometers to a few thousand nanometers, which produces a very large surface area per unit mass of material. The behavior of colloids is, accordingly, controlled ANL-EBS-MD-000033, REV 00 ICN 1 187 July 2000 by surface forces and processes, including electrostatic repulsion or attraction and surface chemical reactions with species in solution. Colloids’ stability and capacity to adsorb radionuclides are complex functions of solution chemistry, temperature, and other variables. Radionuclide-bearing colloids can adversely affect repository performance because they can travel large distances in groundwater with little or no retardation. Radioactive colloids include intrinsic colloids (i.e., radionuclides provide the dominant metal species in the particles, as in hydrous actinide polymers or colloidal actinide silicates and phosphates) and pseudocolloids (formed by the sorption, entrainment, or other incorporation of radionuclides on or within colloidal particles of other materials). Laboratory studies (e.g. as discussed by CRWMS M&O 1997) demonstrate that Pu is readily sorbed by pseudocolloids, hence, the bounding analysis that follows will focus on the behavior of radioactive pseudocolloids, and the term “colloid” should be understood to mean pseudocolloids in the remainder of this discussion. The most important colloid-forming materials, based on their prospective abundance in the potential repository environment, and measured sorption of radionuclides, include clay minerals (e.g., smectites) and colloidal iron oxides such as hematite (see discussion of sorption data in Section 6.6.3.2). Radionuclides can also be sorbed on colloidal silica, but with a generally smaller sorption coefficient than with clays and iron oxides. Colloidal iron compounds may be generated from the large quantities of iron-bearing alloys used within the waste package as well as in the EBS outside the waste package. As shown in Table 27, even without including the iron content of the waste package and its internals, there is more than one metric ton (approximately 1185 kg) of iron per meter of emplacement drift. A conceptual model for colloid generation, mobility, and affinity for radionuclides within the EBS is combined with available data on colloidal transport and sorption capacity for radionuclides to produce a bounding analysis of the degree to which colloids may increase the aqueous concentrations of radionuclides above their respective solubility limits. 6.6.2 Conceptual Model The following discussion is based on CRWMS M&O (1997) which is a more comprehensive treatment of factors affecting radionuclide transport. Colloids are considered stable if they do not agglomerate and settle out of a static suspension over the time period of interest. The stability of colloids suspended or entrained in groundwater (i.e., their tendency to remain suspended) is a function of pH, oxygen potential (Eh), ionic strength, composition of the colloidal particles, temperature, flow velocity, and composition and structure of the media through which the groundwater is moving. The temporal evolution of these variables after repository closure cannot be predicted in great detail. However, the available information permits a bounding analysis comprising the following elements: . Colloid particle size distributions have been measured and reported in groundwater samples pumped from 18 well intervals in the vicinity of Yucca Mountain (Table 22 and Table 23). These data provide a conservative estimate of the concentration of colloidal material that can actually be transported in groundwater along flow pathways ANL-EBS-MD-000033, REV 00 ICN 1 188 July 2000 between the potential repository and the accessible environment. The concentrations may be higher than would be observed in undisturbed natural groundwater flow because water velocity near a pumping well is much higher than it is naturally. . The abundance of iron in the EBS provides a large source of oxides and hydroxides as EBS components corrode. Because there is no compelling argument to preclude the formation of colloids from these corrosion products, it is conservative to assume that all of these products are of colloidal size. Entrainment of colloids in the groundwater and release to the host rock will occur only after sufficient water reenters the drift to support advective flow. . When their release begins, the size distribution of iron colloids is assumed to be identical to the size distributions of natural colloids referenced previously (Assumption 5.6.1). The underlying assumption is that colloids outside the observed range will not be transported over long distances, either because they are unstable or because they become attached to the porous media through which the water flows. . The total concentration of radionuclides is the sum of the concentration in solution and the mass adsorbed on colloidal particles. It can be expressed as an enhancement factor (a simple function of colloid mass concentration and sorption coefficient) multiplied by the solubility limit for the radionuclide. . Sorption of actinides on iron colloids is irreversible, and the sorption coefficient can be bounded by laboratory data (Section 6.6.3.2). . Sorption on silica and clays is reversible and of smaller magnitude than sorption on iron colloids. Treating the total concentration of suspended colloids as iron colloids, can conservatively bound long-distance colloid transport, if the total concentration of suspended colloids is a fixed parameter. 6.6.3 Bounding Analysis 6.6.3.1 Colloid Size Distribution and Concentration. Data for size distribution and colloid concentration are given in Table 22 and Table 23 and are analyzed in Attachment XVI. Particle concentrations in counts per mL are given for sizes ranging from 50 to 200 nm at 10-nm increments. Analysis of the data showed that the normalized distribution (fraction of particles within each size range) is closely approximated by a log-normal distribution for each of the samples; it also showed that the parameters of these distributions are close enough to the same values that a single distribution can be used to approximate adequately the size distribution of colloids that can be transported in the vicinity of Yucca Mountain. Figure 30 shows the distribution data for each of the 18 intervals, along with two composite log-normal curves (one for nine Nye County well samples from Table 22 and one for nine Yucca Mountain well samples from Table 23). The two composite curves are almost identical, which lends some credibility to the notion that a single distribution can represent colloid size data for the entire groundwater system around Yucca Mountain. ANL-EBS-MD-000033, REV 00 ICN 1 189 July 2000 Colloid Size Distribution, Yucca Mountain Wells …... 0 10 20 30 40 50 60 70 80 90 100 0 50 100 150 200 250 Colloid Size, nm ….. (A) Colloid Size Distribution, Nye County Wells ….. 0 10 20 30 40 50 60 70 80 90 100 0 50 100 150 200 250 Colloid Size, nm ….. ` (B) Source: “GwcolloidsV1.2.xls” Worksheets: “NC Cumulative” and “YM Cumulative” (Attachment I) NOTES: A Data from Nye County wells are tabulated in Table 22. B Data from Yucca Mountain wells are tabulated in Table 23. C Each of the symbols used corresponds to a different sampled well interval. The curve in A is for a log-normal distribution with m = 4.436448 and s = 0.360222, based on averaging statistics from each Yucca Mountain well interval. The curve in B is for a log-normal distribution with m = 4.41515 and s = 0.34167, based on averaging statistics from each Nye County well interval. Figure 30. Particle Size Distribution for Colloids in Groundwater Samples near Yucca Mountain ANL-EBS-MD-000033, REV 00 ICN 1 190 July 2000 Mathematically, the distributions can be represented as follows: ÷ ÷ø ö ç çè æ s m - F = c c c c ) D ( ln ) D ( F (Eq. 75 where Dc = colloid particle diameter, nm mc = mean of the natural log of the colloid particle diameter, nm sc = standard deviation of the natural log of the colloid particle diameter, nm F(x) = normal probability integral for any variable x Log-normal parameters for the 18 observed, normalized-size distributions are summarized in Table 58. As noted previously, average values of the parameters for the two data sets are nearly the same. Accordingly, the final parameters recommended for the normalized colloid size distribution are given by the following averages (± one standard deviation): 0885 . 0 4258 . 4 2 0740 . 0 1030 . 0 2 4364 . 4 4152 . 4 c ± = + ± + = m (Eq. 76) 0361 . 0 3509 . 0 2 0311 . 0 0410 . 0 2 3602 . 0 3417 . 0 c ± = + ± + = s (Eq. 77) ANL-EBS-MD-000033, REV 00 ICN 1 191 July 2000 Table 58. Log-Normal Parameters for Normalized Colloid Size Distributions in Samples from Nine Nye County Wells and Nine Yucca Mountain Wells Nye County Wells Yucca Mountain Wells mc (nm) sc (nm) mc (nm) sc (nm) 4.6189 0.4027 4.3217 0.3211 4.5136 0.3999 4.3969 0.3382 4.3135 0.2861 4.3807 0.3369 4.3278 0.3016 4.4381 0.3581 4.3468 0.3170 4.5506 0.4239 4.3515 0.3228 4.3724 0.3412 4.4446 0.3563 4.4828 0.3767 4.3546 0.3293 4.4780 0.3637 4.4650 0.3592 4.5068 0.3822 4.4152 0.3417 4.4364 0.3602 ±0.1030 ±0.0410 ±0.0740 ±0.0311 Source: “GwcolloidsV1.2.xls” Worksheets: “Nye Co Normalized” and “YM Normalized” (Attachment I) NOTES: The calculations to determine these parameters are summarized in Attachment XVI. The first boldface row at the bottom of the table gives the means of the respective parameters, and the second boldface row gives the standard deviations. The total number of colloid particles per mL in the 18 intervals sampled is also closely approximated by a log-normal distribution, which is given by ÷ ÷ø ö ç çè æ s = F = N N m ) N ( ln ) N ( F (Eq. 78) where N = total number of colloid particles, counts per mL mN = mean of the natural log of the total number of colloid particles per mL sN = standard deviation of the natural log of the total number of colloid particles per mL F(x) = normal probability integral for any variable x Analyses of the data are documented in Attachment XVI. Two methods of determining the parameters of the distribution were used: The first method uses a linear regression of the observed cumulative distribution function on a normal probability scale, resulting in m = 17.5936 and s = 2.0441; the second simply determines the parameters by direct calculation of the natural log mean and natural log standard deviation from the data, resulting in m = 17.8089 and s = 1.9911. There is no particular theoretical reason for choosing one set over the other. For ANL-EBS-MD-000033, REV 00 ICN 1 192 July 2000 Colloid Particle Count 0 10 20 30 40 50 60 70 80 90 100 1.E+05 1.E+06 1.E+07 1.E+08 1.E+09 1.E+10 1.E+11 Particles per milliliter Cumulative Percentage Based on rank series Based on data averages From regression NOTE: Two log-normal distributions are shown: The solid curve is based on linear regression analysis of Nye County and Yucca Mountain data, combining colloid concentration vs. size data from a total of 18 well intervals. The dashed curve is a cumulative distribution developed by averaging log-normal statistics representing data from each of the 18 well intervals. The discrete points are values developed directly from rank series analysis of the combined well data. The distributions are almost indistinguishable, and the parameters are not significantly different at the 95% confidence level. Figure 31. Distribution of Total Number of Colloid Particles per Milliliter in Groundwater Samples Near Yucca Mountain simplicity, the second set will be used in further analyses. As can be seen in Figure 31, the curves are nearly identical. 6.6.3.2 Sorption Coefficients Iron compounds as corrosion products are of particular importance because they have high affinity for actinides, and tend to form colloids during metal corrosion. At least one of the common corrosion products (hematite) has high sorption coefficients, and the sorption on these minerals as discussed below, is probably irreversible. Corrosion products of other metals that may form colloids are expected to be much less important than Fe compounds because Fe accounts for most of the total metal content within the drift. ANL-EBS-MD-000033, REV 00 ICN 1 193 July 2000 The sorption coefficient and colloid stability are complex functions of the chemistry of the water and of the nature of the colloidal material. However, bounding values for 239Pu and 243Am can be extracted from recent laboratory work (DTN: LA0003NL831352.002 and DTN: LA0005NL831352.001). These experiments used both natural well water from J-13 (NAT-J-13) and synthetic groundwater (SYN-J-13). Suspensions of colloids in each of these two dilute electrolytes were prepared for hematite, montmorillonite, and silica materials. Sorption coefficients based on these data are shown in Table 59. The tabulated data are bounding values, for representative environmental conditions. Table 59. Sorption Coefficient (Kd) Values in mL/g for Sorption of Pu and Am on Hematite, Montmorillonite, and Silica Colloids Sorption Coefficient Values Radionuclide Water Hematite Montmorillonite Silica PST-1 Natural J-13 1.1´105 2.7´104 3.0´104 Pu (see note) Synthetic J-13 7x105 2.4´104 2.1´104 Natural J-13 1´107 1´105 2.1´104 243Am Synthetic J-13 6.2´106 1´105 3.2´104 DTN: LA0003NL831352.002 and LA0003NL831352.003 NOTES: Representative maximum measured Kd values are tabulated Pu data are maximum sorption coefficients from Tables S00189.001 and S00189.002, from source DTN: LA0003NL831352.002. In addition to the sorption measurements, data were reported on the desorption of Pu from loaded samples of hematite, montmorillonite, and silica colloids. After extended agitation in natural or synthetic J-13 water, desorption was far from complete. These results suggest that sorption of actinides on hematite and other oxides such as goethite should be considered irreversible. It is possible that sorption on montmorillonite (and, presumably, other clays) and silica would be reversible over shorter times, although the assumption of complete reversibility is not evident from the reported data. However, given the large amount of ferric material in the emplacement drifts, iron colloids are likely to be more important for sorption of Pu in this environment than clays and silica particle. 6.6.3.3 Bounding Values of Radionuclide Solubility Enhancement Factor The enhancement factor for colloidal transport represents the factor by which the total amount of a radionuclide in groundwater is increased over the amount in solution at the time the radionuclide was adsorbed. For irreversible adsorption, the amount in solution may be equal to, less than, or greater than the solubility limit at any point along the flow path after the colloid is “loaded” with radionuclide. Mathematically, the enhancement factor E is defined by ANL-EBS-MD-000033, REV 00 ICN 1 194 July 2000 C d 0 Total M K 1 C C E + = = (Eq. 79) CTotal = total radionuclide concentration in solution and suspension (units consistent with C0) C0 = radionuclide solubility limit (units consistent with CTotal) Kd = sorption coefficient, mL/g colloid MC = mass concentration of colloids, g/mL of suspension. Assuming spherical particles (Assumption 5.6.2), the mass concentration of colloids is given by N 6 D M 3 C C × pr = (Eq. 80) where r is the density of the colloid particles, assumed constant. In this equation, both DC and N are log-normally distributed random variables, with parameters given in Section 6.6.3.1. These random variables appear to be independent, exhibiting little or no correlation in the data. The distribution of particle diameter is rather narrow, which implies that most of the uncertainty or variability arises from the total particle count. For a bounding analysis, one can average the mass concentration over the particle diameter distribution, as follows: N 6 D M 3 C C C D × pr = (Eq. 81) where the left-hand side is a random variable representing the mass concentration averaged over the particle diameter distribution. The notation X denotes the average of the random variable x over its distribution. For a log-normal distribution with parameters m and s, the average of x3 is given by ÷ ÷ø ö ç çè æ s + m = 2 9 3 exp x 2 3 (Eq. 82) Using the parameters for the size distribution results in ANL-EBS-MD-000033, REV 00 ICN 1 195 July 2000 3 6 2 3 C nm 10 x 0161 . 1 2 3509 . 0 9 4258 . 4 3 exp D = ÷ ÷ø ö ç çè æ × + × = (Eq. 83) The density of anhydrous hematite (5.24 g/mL; Weast and Astle 1981, p. B-109) is an upper bound on the density of hydrous hematite. This value is used to obtain an order of magnitude estimate for the mass of a spherical colloid particle with a diameter cubed equal to 1.0161´106 nm3, using Equation 83. The result is 2.7878 ´ 10–9 mg per particle. All that remains is to calculate the total mass of colloids per mL of suspension, which requires a value for the total number of particles per mL. As noted previously, N is also log-normally distributed, with parameters m = 17.8089238 and s = 1.9911. Specific values for the enhancement factor require selecting a fractile on the cumulative distribution function (CDF) of N. Calculations for several fractiles are documented in Attachment XVI and are summarized in Table 60. At the 99th percentile, this analysis predicts an enhancement factor of less than 20. ANL-EBS-MD-000033, REV 00 ICN 1 196 July 2000 Table 60. Summary of Calculations for the Colloid Mass at Different Fractiles of the Log-Normal Distribution for the Number of Particles per mL CDF for Number of Particles per mL Standardized Normal Variable Colloid Particles per mL Colloid Mass, (mg/mL) Enhancement Factor for Kd = 7 ´ 105 0.99000 2.3263 5.6E+09 1.6E+01 11.87 0.97500 1.9600 2.7E+09 7.5E+00 6.24 0.95000 1.6449 1.4E+09 4.0E+00 3.80 0.90000 1.2816 7.0E+08 1.9E+00 2.36 0.84027 0.9956 2.1E+08 5.8E-01 1.41 0.75000 0.6745 5.4E+07 1.5E-01 1.11 0.50000 0.0000 3.9E+08 1.1E+00 1.77 Source: file “GWcolloidsV1.2.xls” Worksheet: “Mass Conc.” (Attachment I) NOTE: The enhancement factor estimate is based on the largest value of Kd (7 x 105 mL/g) reported in Table 59. At the 99th percentile, the estimated total mass of colloidal hematite is 15.5 mg/L. For comparison, the total dissolved solids (TDS) content of J-13 water averages about 250 mg/L. Water compositions calculated in Sections 6.7.2 and 6.7.3 show that dissolved solids will equal or exceed that of J-13 water throughout the thermal evolution of the potential repository. In addition, when waters are evaporatively concentrated, or affected by dissolution of precipitates and salts, the ionic strength will increase, which destabilizes colloidal suspensions and will decrease the colloid concentration. Therefore, except for the extreme right tail (p>0.95) of the colloid mass CDF at conditions unaltered by evaporative concentration or precipitates and salts, colloids will be less than 10% of the TDS content. Calculation of the enhancement factor as a function of Kd, at the 99th percentile gives the following results: . For Kd = 106, E = 16.5 . For Kd = 105, E = 2.6 . For Kd = 104, E = 1.2 Because factors of 2 are not considered significant in radionuclide release and transport calculations for repository performance assessment, this bounding analysis suggests that colloidenhanced radionuclide transport will be important only if the colloid has a sorption coefficient greater than 105 mL/g. 6.6.3.4 Bounding Values for Colloid Diffusion Coefficient One potential function of the invert ballast is to provide, under the drip shield, a diffusion barrier between the waste package and the host rock. If water is successfully diverted by the backfill/drip-shield system and effectively drained from the drift into the host rock, little or no water would flow beneath the waste package. Potentially, the water content in this region could be kept so low that diffusion rather than advection would dominate radionuclide transport. ANL-EBS-MD-000033, REV 00 ICN 1 197 July 2000 A model for diffusivity of dissolved radionuclides is documented in CRWMS M&O (2000h). For an invert material with 50% porosity and 5% water saturation, the diffusion coefficient of a dissolved ion will be about three orders of magnitude below its value in bulk solution (i.e., with no porous medium present). Diffusivity vs. Particle Diameter 1.E-12 1.E-11 1.E-10 1.E-09 1.E-08 0.1 1 10 100 Diameter (nm) Diffusion Coefficient, (m 2/sec) Handbook Data Stokes-Einstein Eqn Source: file “GWcolloidsV1.2.xls” Worksheet: “Colloid Diffusivity” (Attachment I) NOTES: Values shown with points are from Perry and Chilton (1973) Line is Stokes-Einstein equation for water @ 25°C (Bird et al. 1960) Figure 32. Estimated Diffusion Coefficient as a Function of Particle Size Using the Stokes-Einstein Equation, Compared with Handbook Values from Table 23 It might be supposed that no colloidal transport would be possible without advective flow. However, diffusion along a surface film of water is possible, at least for the smaller sizes of colloids. Figure 32 summarizes values for the diffusion coefficient in dilute suspensions as a function of particle diameter, over a range covering colloids, based on the Stokes-Einstein equation: A A B AB D 3 1 R 6 1 T D p = p = k m (Eq. 84) ANL-EBS-MD-000033, REV 00 ICN 1 198 July 2000 where DAB = Diffusivity of species A in solvent B (m2/sec) mB = Viscosity of solvent B, water (Pa-sec) k = Boltzman’s constant (1.380658´10-23 joule/°K) T = Absolute temperature (°K) RA = Radius of species (m) DA - Diameter of species (m) The calculations used to develop Figure 32 are documented in Attachment XVI. These diffusivity values apply in bulk suspensions and are reduced from typical values for dissolved species by two to three orders of magnitude. Even with an enhancement factor of 10 or so, diffusion-controlled radionuclide mass release would be from 10 to 100 times lower than the diffusion of dissolved species. Actual diffusivity in a water film may be even lower because the Stokes-Einstein equation assumes no interaction of the diffusing particle with any substance other than the solvent. Therefore, diffusion of colloids through the invert can be neglected entirely in performance assessment. 6.6.3.5 Discussion and Summary The foregoing discussion has shown that transport of Pu and possibly other actinides, may be affected by iron colloids produced from corrosion of steel in the waste package and elsewhere in the EBS. Sorption is probably irreversible, and sorptive affinity of iron oxides for Pu is high, so the effect of corroded steel could be to increase irreversible, pseudocolloidal Pu transport at the expense of dissolved Pu. Given a particular concentration of dissolved Pu, the total concentration associated with iron colloids could be an order of magnitude greater under certain conditions. (This would require commensurate dissolution of the waste form, to provide sufficient dissolved Pu to “load up” the iron colloids.) Analysis shows that diffusive transport of colloidally bound radionuclides is not important to performance. This model is based on inferences relating the abundance and size of natural colloids in Yucca Mountain groundwaters, with the concentrations of ferric-oxide and ferric-oxyhydroxide colloids in the EBS. In addition, sorption coefficients and reversibility are inferred from laboratory tests on hematite colloids. As stated previously, the intended use of this model is to bound the effect of steel in the EBS, on the potential for colloidal transport of radionuclides. The model is bounding because the entire mobile colloid load in EBS waters is assigned to hematite colloids, which have relatively high affinity for radionuclides such as Pu. Other colloids such as clays and silica will be present and tend to decrease the hematite colloid concentration. The model is also bounding because sampling of groundwater from wells is more dynamic than percolation in the EBS will be, so colloids tend to be mobilized at greater concentrations. Another important bounding aspect of this model is that sorption of Pu is considered irreversible, so that once sorbed, the enhanced mobility of pseudo-colloidal transport in the groundwater system persists for the lifetime of the radionuclide. ANL-EBS-MD-000033, REV 00 ICN 1 199 July 2000 Whereas hematite is the most stable Fe-oxide likely to form in the potential repository, other solids such as goethite and ferrihydrite could also be present. These “lower” oxides can have greater surface area and sorption capacity for radionuclides. It is possible that these phases will mature to hematite with time in the repository, however, the endpoints and timing of such evolution are not established. It is likely that the bounding approximations mentioned above, would encompass any differences in potential radionuclide transport that could be attributed to the lower oxides. From this discussion it is concluded that the EBS Colloids Model is bounding, and valid for its intended use. 6.6.4 EBS Colloids Model Validation This model is based on inferences relating the abundance and size of natural colloids in Yucca Mountain groundwaters, with the concentrations of ferric-oxide and ferric-oxyhydroxide colloids in the EBS. In addition, sorption coefficients and reversibility are inferred from laboratory tests on hematite colloids. As stated previously, the intended use of this model is to bound the effect of steel in the EBS, on the potential for colloidal transport of radionuclides. The model is bounding because the entire mobile colloid load in EBS waters is assigned to hematite colloids, which have relatively high affinity for radionuclides such as Pu. Other colloids such as clays and silica will be present and tend to decrease the hematite colloid concentration. The model is also bounding because sampling of groundwater from wells is more dynamic than percolation in the EBS will be, so colloids tend to be mobilized at greater concentrations. Another important bounding aspect of this model is that sorption of Pu is considered irreversible, so that once sorbed, the enhanced mobility of pseudo-colloidal transport in the groundwater system persists for the lifetime of the radionuclide. Whereas hematite is the most stable Fe-oxide likely to form in the potential repository, other solids such as goethite and ferrihydrite could also be present. These “lower” oxides can have greater surface area and sorption capacity for radionuclides. It is possible that these phases will mature to hematite with time in the repository, however, the endpoints and timing of such evolution are not established. It is likely that the bounding approximations mentioned above, would encompass any differences in potential radionuclide transport that could be attributed to the lower oxides. From this discussion it is concluded that the EBS Colloids Model is bounding, and valid for its intended use. It is also shown that the model has an appropriate level of confidence suitable for its intended use. 6.7 CHEMICAL REFERENCE MODEL The Chemical Reference Model combines input from the Thermal Hydrology Model (Section 6.1), Gas Flux and Fugacity Model (Section 6.2), Normative Precipitates and Salts Model (Section 6.5), and other aspects of the EBS Physical and Chemical Environment Model to produce a description of chemical processes in the EBS. The overall objective is an integrated view of chemical conditions in the drift; following are specific objectives: ANL-EBS-MD-000033, REV 00 ICN 1 200 July 2000 . Describe the evolution of water composition and solid precipitates in the backfill above the drip shield and waste package (Zone 3/4) and above the invert and the lower part of the backfill (Zone 5/6). . Evaluate the effects of corrosion products from structural steel, leachate from cementitious materials, and degradation products from other human-made, introduced materials, on the EBS bulk chemical environment. . Assess the effects of microbial processes on the bulk chemical environment. . Assess the effects of colloid formation and transport on the bulk chemical environment. Reaction cells corresponding to the composite zones of Table 24, are used to estimate the chemical evolution of the bulk environment. The number of such cells is limited by the computational effort required to calculate the evolution of the EBS environment for 10,000 yr or longer. The three composite zones in Table 24 are based on the six zones calculated with the TH model. They constitute the smallest number of zones that can be used to represent compositionally similar regions: host rock above the drift, backfill above the drip shield, and the backfill/invert in the lower part of the drift. 6.7.1 Simulation of Water Composition in Zone 1/2 The host rock above the drift is represented by a compositional boundary condition at Zone 0 and by a reaction cell at Zone 1/2. The flux of water from Zone 0 to Zone 1/2 is calculated by the TH Model (Section 6.1); the composition of this flux is similar to that of J-13 water (DTN LL980711104242.054). Previous work has shown that J-13 water composition is chemically analogous to fracture waters in the host rock (Harrar et al. 1990) and is suitable for treatment of pH effects from evaporative concentration (Sections 4.1.5 and 6.5.8.1). Using EQ3/6 for Zone 1/2, the J-13 water composition is modified by elevated temperature, PCO2, evaporative concentration, and mineral interaction. Separate models for each time period were prepared using the input data shown in Table 25. These are equilibrium models based on EQ3NR (Wolery 1992b;this code is part of the EQ3/6 code package). The approach is justified because the starting (Zone 0) composition is already close to solubility equilibrium with host rock minerals. Estimates of reactive surface area for the host rock are not required. The calculations for Zone 0 and Zone 1/2 waters are based on a conceptual model for J-13 water in which the HCO3 –, H+, and Ca2+ components are mutually controlled by the fugacity of CO2, equilibrium with calcite, and electrical charge balance. The model also assumes that the minor Al3+, Fe2+, and Mg2+ components are controlled by equilibrium with selected ideal clay minerals and that minor Mn2+ is controlled by equilibrium with pyrolusite (MnO2). Other components are taken to follow specified concentrations based on Harrar et al. (1990), corrected for a specified degree of evaporative concentration in the case of Zone 1/2 waters (but not in that of Zone 0 waters). Major and minor host rock minerals are included in the calculations (silica polymorphs, hematite, MnO2, smectites, calcite, etc. as indicated in the “data0.elh” file used for the ANL-EBS-MD-000033, REV 00 ICN 1 201 July 2000 calculations). Feldspars are not included because they dissolve slowly. Hematite could be used to control ferric iron instead of nontronite clay, but this would make little difference to the Fe concentration or the bulk chemical environment. Micas and Al-oxides are not included because they are very unlikely to occur. The clays are much more active as possible precipitates, and as preexisting minerals in the host rock. Kaolinite could have been used to control Al instead of smectite, but kaolinite is uncommon, and this substitution also would have little effect on the bulk chemical environment. In addition to the above rationale, other phases have been excluded for particular reasons, such as exclusion of quartz in modeling the equilibrium of fracture water with the host rock at elevated temperature. These specially excluded phases, and the underlying reasons, are indicated in the EQ3/6 input files for those problems. Applied to ordinary ambient J-13 water, using the observed subsurface CO2 fugacity of 1 ´ 10–3 bar (Section 6.2), this model yields almost exactly the observed Ca2+ concentration and a pH of about 8.1. The model is also attractive because the actual groundwater coexists with calcite, and equilibrium with that mineral is highly likely. The calculated pH is higher than the average value of 7.41 reported by Harrar et al. (1990). ANL-EBS-MD-000033, REV 00 ICN 1 202 July 2000 Table 61. Calculated Water Composition in Zone 1/2 for Time Periods 1 through 5 Nominal Time (years) 100 500 1000 2000 5000 Temperature (°C) 80.81 90.05 88.42 79.96 51.69 PCO2 (atm) 9.084E-07 1.805E-06 1.536E-06 5.405E-06 3.314E-05 PO2 (atm) 2.384E-04 4.736E-04 4.030E-04 1.416E-03 8.608E-03 Evaporation/ Condensation Factor 1.088 0.9778 0.8782 0.9895 0.9995 pH 9.318 9.139 9.162 9.140 9.243 I (molal) 4.273E-03 4.041E-03 3.961E-03 2.924E-03 2.486E-03 Al3+ 1.940E-06 2.407E-06 2.265E-06 1.417E-06 2.904E-07 B(OH)3(aq) 1.365E-05 1.227E-05 1.101E-05 1.242E-05 1.255E-05 Ca2+ 6.365E-04 6.392E-04 6.866E-04 2.385E-04 4.316E-05 Cl- 2.191E-04 1.969E-04 1.769E-04 1.993E-04 2.013E-04 F- 1.249E-04 1.122E-04 1.007E-04 1.135E-04 1.147E-04 Fe2+ 8.812E-16 4.994E-16 5.449E-16 9.124E-16 5.698E-15 HCO3 – 2.250E-05 2.305E-05 2.194E-05 6.406E-05 7.237E-04 K+ 1.403E-04 1.260E-04 1.132E-04 1.276E-04 1.288E-04 Li+ 7.492E-06 6.771E-06 6.051E-06 6.771E-06 6.915E-06 Mg2+ 3.148E-10 3.464E-10 3.460E-10 8.011E-10 7.715E-09 Mn2+ 1.363E-14 3.649E-14 2.911E-14 2.578E-14 3.708E-15 NO3 - 1.541E-04 1.385E-04 1.244E-04 1.401E-04 1.415E-04 Na+ 2.167E-03 1.948E-03 1.750E-03 1.971E-03 1.991E-03 SO4 2– 2.084E-04 1.873E-04 1.682E-04 1.895E-04 1.914E-04 SiO2(aq) 3.584E-03 3.741E-03 3.665E-03 2.804E-03 1.275E-03 Sr2+ 5.022E-07 4.451E-07 3.995E-07 4.565E-07 4.565E-07 Source: EQ3NR output files for Zone 1/2 (Attachment I) NOTES: All concentrations in mol/kg H2O unless otherwise specified The expected thermodynamic controls on the solution composition can be extrapolated up to approximately the boiling point of the water. One new constraint is required to deal with aqueous silica. This is set to be the greater of the concentration reported by Harrar et al. (1990) or that corresponding to solubility equilibrium with cristobalite. Values of the CO2 fugacity from Section 6.2, and small corrections for evaporative concentration (of Zone 1/2 waters only) are also applied here. ANL-EBS-MD-000033, REV 00 ICN 1 203 July 2000 6.7.1.1 Water Composition in Zone 1/2 The water compositions calculated for Zone 1/2, for each time period, are shown in Table 61. Water compositions are affected principally by temperature-dependent solubility and PCO2. Prograde solubility of cristobalite increases the silica concentration with temperature. Note that lower CO2 fugacities result in higher pH values (in the range 8.7–9.2). This pH increase corresponds to the loss of CO2, which is an acid anhydride. These pH values represent somewhat more alkaline conditions than would be calculated for ambient temperature (e.g., 31°C) owing to the contraction of the upper end of the practical pH range at elevated temperatures. The pH is effectively controlled by the H3SiO4 –/cristobalite buffer (noting that solubility of aqueous SiO 2 is controlled by cristobalite) and not by the HCO3 –/CO3 2– buffer. There is a loss of dissolved Ca2+ in these calculations for these waters that is effectively due to the precipitation of calcite. The minor dissolved components Al3+, Fe2+, Mg2+, and Mn2+ do vary (the concentration of Al3+ basically increases with pH) but remain minor. Minor changes in concentrations of relatively conservative species such as Cl–, F–, SO4 2–, NO3 –, Na+, and K+ are caused by evaporative concentration (as prescribed in Table 25). 6.7.2 Simulation of Mineral Precipitation and Water Composition in Zone 3/4 According to the TH Model results (Table 25 in Section 4.1.7.4), water from Zone 1/2 does not enter Zone 3/4 (backfill above the springline) until Time Period 2. During this time period (300 to 700 yr), the liquid influx is exactly balanced by vapor outflux, and the calculated liquid water mass in Zone 3/4 is small. The cumulative liquid influx during the time period is approximately 40,000 times the resident mass of 0.8462 kg (for a half-drift model). Accordingly, the formation of precipitates is calculated ignoring the liquid residue. This is justified because such a small quantity of liquid will be dispersed in the backfill. 6.7.2.1 Normative Assemblage of Evaporative Minerals Formed in Zone 3/4 During Time Period 2 Using the Zone 1/2 water composition for Time Period 2, an assemblage of minerals is calculated using the approach described in Section 6.5. The results are shown in Table 62 for a half-drift model. Approximately 20 kg of various precipitates, on a full-drift basis, mostly consisting of amorphous silica, is predicted to accumulate in the backfill above the springlines. ANL-EBS-MD-000033, REV 00 ICN 1 204 July 2000 Table 62. Normative Evaporative Mineral Assemblage Predicted to Accumulate in Zone 3/4 During Time Period 2 (300 to 700 yr) Mineral Formula Moles of Precipitates (mol/m) a Molar Mass (kg/mol) a Mass of Precipitates (kg/m) a Niter KNO3 3.993E+00 1.011E-01 4.038E-01 Na-niter NaNO3 3.934E-01 8.500E-02 3.344E-02 Fluorite CaF2 1.778E+00 7.808E-02 1.388E-01 Villiaumite NaF 0.000E+00 4.199E-02 0.000E+00 Sylvite KCl 0.000E+00 7.455E-02 0.000E+00 Halite NaCl 6.239E+00 5.844E-02 3.646E-01 Mg-smectite b Mg0.165Al2.33Si3.67O10(OH)2 6.652E-05 3.667E-01 2.439E-05 Ca-smectite b Ca0.165Al2.33Si3.67O10(OH)2 3.266E-02 3.676E-01 1.201E-02 Na-smectite b Na0.333Al2.33Si3.67O10(OH)2 0.000E+00 1.420E-01 0.000E+00 Thenardite Na2SO4 5.934E+00 1.420E-01 8.429E-01 Anhydrite CaSO4 0.000E+00 1.361E-01 0.000E+00 Tachyhydrite CaMg2Cl6O10:12H2O 0.000E+00 6.776E-01 0.000E+00 Calcite CaCO3 1.847E+01 1.001E-01 1.848E+00 Magnesite MgCO3 0.000E+00 8.431E-02 0.000E+00 Thermonatrite Na2CO3:H2O 2.161E+01 1.240E-01 2.679E+00 Amorphous Silica SiO2 1.184E+02 6.009E-02 7.116E+00 Total 1.344E+01 Source: file “normative_hiCO2_L4C4_ui-zone34-500V1.2.xls” (Attachment I) NOTES: a Values correspond to accumulation in a half-drift model. Multiply by two to obtain accumulation in the full drift cross-section. 6.7.2.2 Surface Area of Quartz Sand Backfill in Zone 3/4 The surface area of quartz sand is estimated from a measured-size fraction analysis (Section 4.1.7.5, DTN: MO9912EBSPWR28.001). The sand mass is accounted for using spherical particles, with the mean diameter for each size category, and honoring the proportion of total mass present in each category. Surface area is calculated by summing the areas of the spheres. The calculation is performed in spreadsheet routine “OvertonSandAreaV1.2” (Attachment I). The results are tabulated in terms of sand surface area per mass of liquid in Zone 3/4 and Zone 5/6 in each time period (Table 63). ANL-EBS-MD-000033, REV 00 ICN 1 205 July 2000 Table 63. Surface Area Calculation for Quartz-Sand Backfill in Composite Zones 3/4 and 5/6, Expressed as Surface Area per Mass of Solvent Composite Zones Zone 3/4 Zone 5/6 Sand Surface (m2/m) 1.102E+05 2.073E+04 Liquid Mass (kg/m) Time Period 1 0.000E+00 0.000E+00 Time Period 2 2.500E+00 0.000E+00 Time Period 3 2.553E+02 7.242E+00 Time Period 4 3.933E+02 2.043E+02 Time Period 5 4.412E+02 2.232E+02 Ratio of Sand Surface Area to Liquid Mass (m2/kg) Time Period 1 Time Period 2 4.406E+04 Time Period 3 4.316E+02 2.863E+03 Time Period 4 2.802E+02 1.015E+02 Time Period 5 2.497E+02 9.290E+01 Source: file “OvertonSandAreaV1.2.xls” (Attachment I) This calculation provides a lower bound on the quartz surface area because (a) real sand particles have more surface area than do spheres with the same mass, and (b) the mass of particles passed through the 0.053 mm sieve was not taken into account. 6.7.2.3 Kinetics of Quartz Precipitation The kinetics of quartz precipitation is an important issue because of the use of Overton sand (a quartz sand) as backfill. In the rock surrounding the drift, quartz—and its less stable polymorph, cristobalite—coexist out of chemical equilibrium on a geologically long-term basis because the growth rate of quartz is quite small (Rimstidt and Barnes 1980). The concentration of dissolved silica corresponds to near-equilibrium with cristobalite (and supersaturation with respect to quartz). This condition is maintained in the rock at Yucca Mountain because of the slow growth kinetics of quartz. That condition may be replaced in the sand backfill by one of near-equilibrium with quartz, resulting in a significant drop in dissolved silica. This has some implications for pH and pH-buffer capacity. At sufficiently low fugacity of CO2, the pH may rise to high values (>10), and buffers such as H3 SiO4 –/SiO2(aq), and NaH3SiO4(aq)/cristobalite, and NaH3SiO4(aq)/quartz may become controlling. The precipitation and dissolution of silicate minerals is generally accepted to be a surface area-mediated process (i.e., the rate is proportional to the area of the mineral-water interface). The kinetics for quartz and other SiO 2 minerals was studied by Rimstidt and Barnes (1980). Their rate law and data for quartz growth were used to examine the rate of quartz growth (via overgrowths) in the backfill. In the backfill, the surface area of quartz far exceeds that available in the surrounding rock (per unit mass or volume of groundwater). Contact of influent water with ANL-EBS-MD-000033, REV 00 ICN 1 206 July 2000 the sand backfill may result in a rapid development of quartz overgrowths and a significant drop in dissolved silica (from near cristobalite solubility to near quartz solubility). As the water passes back into the rock, the dissolved silica would be expected to rise again because of the dissolution of cristobalite. 6.7.2.4 Redissolution of Evaporative Minerals in Zone 3/4 All calculations in Zone 3/4 (and Zone 5/6) were conducted using the EQ6 code (Wolery and Daveler 1992; this is another code in the EQ3/6 package). This code directly simulates processes involving water reacting with other substances. The evaporative mineral assemblage comprises minerals with solubilities greater than 1 molal (e.g., niter, halite, thermonatrite). It is possible for much of the accumulated mineral mass described in Table 62 to be redissolved by a small amount of water. However, it is also possible that spatially heterogeneous liquid permeability, and the limited solubility of amorphous silica, could impede rapid dissolution. For this model, redissolution is assumed to occur congruently, with a final-solution ionic strength of 1 molal (Assumption 5.7.1). Redissolution is modeled by introducing the water composition from Zone 1/2 into Zone 3/4 at the start of Time Period 3 (700 to 1500 yr). In the EQ6 model, the evaporative mineral assemblage is titrated into 1 kg of liquid water until the ionic strength is 1 molal (within 1%). Quartz is present as the major component of the sand backfill; in the final model calculations, equilibrium with this mineral is assumed to control the concentration of dissolved silica. The 1 molal ionic strength limit is artificial and corresponds to the upper limit of practical usage of the B-dot activity coefficient model. This probably underestimates the efficiency of inflowing groundwater in redissolving the evaporite mineral assemblage because higher ionic strengths are likely to be achieved. The time period required to effectively remove this assemblage (Time Period 3A), using this estimate of removal efficiency, is therefore an upper bound. It nevertheless indicates a relatively rapid removal (the duration of Time Period 3A is less than 14.6 yr, which is much less than that of Time Period 3B, the remainder of Time Period 3). A calculation using EQ6 and the Rimstidt and Barnes (1980) rate law and kinetic data for quartz growth (coupled with a geometric estimate of the appropriate surface area) was made, starting with fluid in which the other processes had already been completed. This computation yielded a decline in dissolved silica to a value closely corresponding to quartz solubility in less than one year. Because the actual effective surface area might be three times higher because of surface roughness, just one-third of a year might produce the same result. Also, the decline in dissolved silica follows an exponential decay pattern in which most of the decline takes place early in the process; thus, most of the effect could be achieved in even less time. Because of these factors, the other calculations of processes in Zone 3/4 (and later in Zone 5/6) were made assuming instantaneous equilibration with quartz (an easier calculational constraint to deal with). The results from EQ6 modeling of precipitate redissolution and other processes in Time Period 3A are shown in Table 64. In Time Period 3A, quartz and calcite are precipitated as the evaporative precipitates (apart from calcite) are redissolved. Both of these minerals are present at the start of this time period, and more of each is deposited. CO2 is initially evolved during ANL-EBS-MD-000033, REV 00 ICN 1 207 July 2000 Table 64. Composition of Water in Zone 3/4 After Return of Liquid Water Through-Flow and Starting with Redissolution of Evaporative Precipitates in Time Period 3A. Time Period 3A 3B 4 5 Temperature (°C) 96.05 96.05 86.95 56.95 PCO2 (atm) 1.536E-06 1.536E-06 5.405E–06 3.314E–05 PO2 (atm) 4.030E-04 4.030E-04 1.416E–03 8.608E–03 Evaporation/Condensation Factor 10.635 10.635 1.0950 1.004 pH 11.081 9.920 9.276 9.319 I (molal) 1.001E+00 2.025E–02 2.812E–03 2.502E–03 Al3+ 1.815E-03 2.410E-05 1.551E-06 2.915E-07 B(OH)3(aq) 1.170E-04 1.172E-04 1.360E-05 1.260E-05 Ca2 + 7.280E-06 3.548E-05 1.194E-04 3.061E-05 Cl– 1.485E-01 1.882E-03 2.182E-04 2.021E-04 F– 6.836E-02 1.072E-03 1.243E-04 1.152E-04 Fe2+ 5.788E-15 5.372E-15 9.990E-16 5.721E-15 HCO3 7.208E-02 1.549E-04 7.878E-05 8.148E-04 K+ 9.502E-02 1.205E-03 1.397E-04 1.293E-04 Li+ 6.427E-05 6.439E-05 7.414E-06 6.943E-06 Mg2+ 5.583E-13 4.525E-11 8.771E-10 7.746E-09 Mn2+ 5.583E-13 3.098E-13 2.823E-14 3.722E-15 NO3 – 1.044E-01 1.323E-03 1.534E-04 1.421E-04 Na+ 1.469E+00 1.862E-02 2.158E-03 1.999E-03 SO4 2– 1.412E-01 1.790E-03 2.075E-04 1.922E-04 SiO2(aq) 7.139E-01 7.821E-03 1.481E-03 5.339E-04 Sr2+ 9.846E-08 8.840E-07 4.998E-07 3.648E-07 Moles Dissolved (<0 = Formed) per 1 kg Influent H2O Halite 1.380E-02 Niter 8.833E-03 NaNO3 8.706E-04 Mg-smectite 1.472E-07 Thenardite 1.313E-02 Thermonatrite 4.781E-02 SiO2 (amophous) 2.620E-01 Fluorite a 3.170E-03 Ca-smectite 7.227E-05 Calcite -3.900E-03 -6.832E-04 -1.295E-04 -1.267E-05 Quartz -1.988E-01 -2.930E-03 -1.451E-03 -7.432E-04 Moles Evolved (<0 = Used) per 1 kg Influent H2O CO2 (g) 3.720E-02 -6.800E-04 -1.400E-04 -1.000E-04 Source: EQ6 output files for Zone 3/4 (Attachment I) NOTES: All concentrations in mol/kg H2O unless otherwise specified. Normative species with zero predicted abundance are not reported in this table. Fluorite is solubility-limited and slow to dissolve; the figure shown results in removal of ~80% of the accumulated fluorite. ANL-EBS-MD-000033, REV 00 ICN 1 208 July 2000 redissolution (including titration of calcite into solution) but is consumed in Time Period 3B (note that an “open-system,” or constant-fugacity, CO2 boundary condition is used). The pH rises to about 10.8 in Time Period 3A (the maximum value encountered in the calculations presented here). This is mainly because of the strong evaporative concentration (90.6%), which concentrates the OH– component in solution to about 0.62 molal. In later time periods, the extent of evaporation is not so great, and the pH does not rise so high. Approximately 14 yr are needed to redissolve the accumulated precipitates with 1 molal ionic strength (calculated in spreadsheet file: “normative_hiCO2_L4C4_ui-zone34-500.xls”; worksheet: 700 to 1500 yr). 6.7.2.5 Water Composition in Zone 3/4 After Redissolution of Evaporative Minerals After Time Period 3, the water composition in Zone 3/4 returns to conditions that are similar to those of Zone 1/2 (host rock) except for the effects of achieving equilibrium or near-equilibrium with quartz and evaporative concentration, which remains strong. More calcite continues to precipitate, and CO2 continues to be consumed. 6.7.3 Simulation of Mineral Precipitation and Water Composition in Zone 5/6 According to the TH Model results (Table 25 in Section 4.1.7.4 and Section 6.1), water from Zone 3/4 does not enter Zone 5/6 (backfill below the springline plus crushed tuff invert) until Time Period 3. During this time period (700 to 1500 yr), the liquid influx is exactly balanced by vapor outflux, and the calculated liquid water mass in Zone 5/6 is limited. The cumulative liquid influx during the time period is approximately 3600 times the resident mass of 7.242 kg (for a half-drift model). The formation of precipitates is calculated ignoring the liquid mass because of the large accumulation (100 kg) of precipitate (Table 65). ANL-EBS-MD-000033, REV 00 ICN 1 209 July 2000 Table 65. Normative Evaporative Mineral Assemblage Predicted to Accumulate in Zone 5/6 During Time Period 3 (700 to 1500 yr) Mineral Formula Moles Precipitates Time Period 3A (mol/m) A Moles Precipitates Time Period 3B (mol/m) A Total Moles Precipitates (mol/m) A Molar Mass (kg/mol) A Mass of Precipitates (kg/m) A Niter KNO3 6.228E+01 3.081E+01 9.309E+01 1.011E-01 9.413E+00 Na-niter NaNO3 6.140E+00 3.037E+00 9.177E+00 8.500E-02 7.800E-01 Fluorite CaF2 4.772E-03 9.075E-01 9.123E-01 7.808E-02 7.123E-02 Villiaumite NaF 4.480E+01 2.560E+01 7.040E+01 4.199E-02 2.956E+00 Sylvite KCl 0.000E+00 0.000E+00 0.000E+00 7.455E-02 0.000E+00 Halite NaCl 9.733E+01 4.813E+01 1.455E+02 5.844E-02 8.501E+00 Mg-smectite b Mg0.165Al2.33 Si3.67O10(OH)2 2.218E-09 7.014E-06 7.016E-06 3.640E-01 2.554E-06 Ca-smectite b Ca0.165Al2.33 Si3.67O10(OH)2 0.000E+00 0.000E+00 0.000E+00 3.667E-01 0.000E+00 Na-smectite b Na0.333Al2.33 Si3.67O10(OH)2 5.106E-01 2.646E-01 7.752E-01 3.676E-01 2.850E-01 Thenardite Na2SO4 9.259E+01 4.578E+01 1.384E+02 1.420E-01 1.965E+01 Anhydrite CaSO4 0.000E+00 0.000E+00 0.000E+00 1.361E-01 0.000E+00 Tachyhydrite CaMg2Cl6O10:12H2O 0.000E+00 0.000E+00 0.000E+00 0.67764 0.000E+00 Calcite CaCO3 0.000E+00 0.000E+00 0.000E+00 1.001E-01 0.000E+00 Magnesite MgCO3 0.000E+00 0.000E+00 0.000E+00 8.431E-02 0.000E+00 Thermonatrite Na2CO3:H2O 3.146E+02 1.539E+02 4.685E+02 1.240E-01 5.810E+01 Amorphous Silica SiO2 4.660E+02 1.990E+02 6.651E+02 6.009E-02 3.996E+01 Total 1.397E+02 Source: file “normative_hiCO2_l4c4_ui-zone56-1000V1.2.xls” (Attachment I) NOTE: A Values correspond to accumulation in a half-drift model. Multiply by two to obtain accumulation in the full drift cross-section. ANL-EBS-MD-000033, REV 00 ICN 1 210 July 2000 6.7.3.1 Normative Assemblage of Evaporative Minerals Formed in Zone 5/6 During Time Period 3 Using the Zone 3/4 water composition for both Time Period 3A and Time Period 3B, an assemblage of minerals is calculated using the approach described in Section 6.5. The results are shown in Table 65 for a half-drift model. Hundreds of kilograms of precipitates and salts, on a full-drift basis, are calculated to accumulate in the lower backfill and invert, per each meter of drift. These precipitates/salts consist mostly of amorphous silica, and also include calcite, halite, and other species. 6.7.3.2 Surface Area of Quartz-Sand Backfill in Zone 5/6 Values for the surface area per liquid mass used to model Zone 5/6 are tabulated in Table 63. The calculation is discussed in Section 6.7.2.1 and is performed in spreadsheet routine “OvertonSandAreaV1.2” (Attachment I). 6.7.3.3 Redissolution of Evaporative Minerals in Zone 5/6 The evaporative mineral assemblage comprises minerals with solubilities greater than 1 molal (e.g., niter, halite, thermonatrite). As discussed for Zone 3/4, it is possible for much of the accumulated mineral mass described in Table 65 to be redissolved by a small amount of water. For this model, redissolution is assumed to occur congruently, with final solution ionic strength of 1 molal (Assumption 5.7.1). Redissolution is modeled by introducing the water composition from Zone 3/4 into Zone 5/6 at the start of Time Period 4 (1500 to 2500 yr). In the EQ6 model, the evaporative mineral assemblage is titrated into 1 kg of liquid water until the ionic strength is 1 molal (within 1%). Equilibrium with quartz is again assumed because of the large surface area presented by the sand backfill. Some crushed tuff is present at the bottom of Zone 5/6 (in the invert). It is likely that the concentration of silica may rise once the water reaches this material. However, the surface area is much smaller, relatively speaking. Therefore, such a potential increase in dissolved silica has been ignored in the present calculations. The evaporite minerals are redissolved in the short Time Period 4A analogous to Time Period 3A. The processes and results for Zone 5/6 during Time Period 4A are qualitatively very similar to those for Zone 3/4 during Time Period 3A. The results from EQ6 modeling of precipitate redissolution and other processes are shown in Table 64. Quartz and calcite precipitated as the evaporative precipitates (apart from calcite) are redissolved. CO2 is initially evolved during redissolution (including titration of calcite into solution) but is consumed in Time Period 3B (note that an open-system, or constant-fugacity, CO2 boundary condition is used). Approximately 40 yr are required to redissolved the accumulated precipitates with 1 molal ionic strength (calculated in spreadsheet file: “normative_hiCO2_L4C4_ui-zone56-1000.xls”; worksheet: 1500 to 2500 yr, Attachement I). ANL-EBS-MD-000033, REV 00 ICN 1 211 July 2000 Table 66. Composition of Water in Zone 5/6 After Return of Liquid Water Through-Flow and Starting with Redissolution of Evaporative Precipitates in Time Period 4A Time Period 4A 4B 5 Temperature (°C) 88.46 88.46 58.90 PCO2 (atm) 5.405E–06 5.405E–06 3.314E–05 PO2 (atm) 1.416E–03 1.416E–03 8.608E–03 Evaporation/Condensation Factor 1.046 1.046 1.003 pH 10.952 9.268 9.320 I (molal) 9.999E-01 2.931E–03 2.504E–03 Al3+ 1.477E-03 1.622E-06 2.924E-07 B(OH)3(aq) 1.419E-05 1.423E-05 1.264E-05 Ca2+ 7.209E-06 1.219E-04 2.987E-05 Cl– 1.188E-01 2.282E-04 2.027E-04 F– 5.949E-02 1.300E-04 1.155E-04 Fe2+ 1.042E-15 1.045E-15 5.738E-15 HCO3 – 1.538E-01 7.555E-05 7.912E-04 K+ 7.605E-02 1.461E-04 1.297E-04 Li+ 7.734E-06 7.755E-06 6.964E-06 Mg2+ 2.381E-13 8.473E-10 7.769E-09 Mn2+ 2.945E-14 2.953E-14 3.733E-15 NO3 – 8.355E-02 1.605E-04 1.425E-04 Na+ 1.176E+00 2.257E-03 2.005E-03 SO4 2– 1.130E-01 2.170E-04 1.928E-04 SiO2(aq) 4.039E-01 1.543E-03 5.355E-04 Sr2+ 8.039E-08 5.228E-07 3.659E-07 Moles Dissolved (<0 = formed) per 1 kg Influent H2O SiO2 (amophous) 5.171E–01 Halite 1.137E–01 Niter 7.277E–02 NaNO3 7.173E–03 Fluorite 7.906E–04 Villiaumite 5.533E–02 Mg-smectite 6.084E–09 Na-smectite 6.069E–04 Thenardite 1.082E–01 Thermonatrite 3.661E–01 Calcite –9.031E–04 -2.856E-06 -8.281E-07 Quartz –1.336E–01 -5.682E-06 0.000E+00 Moles Evolved (<0 = Used) per 1 kg Influent H2O CO2 (g) 2.178E–01 0.000E+00 0.000E+00 Source: EQ6 output files for Zone 5/6 (Attachment I) NOTES: All concentrations in mol/kg H2O unless otherwise specified. Normative species with zero predicted abundance are not reported in this table. ANL-EBS-MD-000033, REV 00 ICN 1 212 July 2000 6.7.3.4 Water Composition in Zone 5/6 After Redissolution of Evaporative Minerals After Time Period 4, the water composition in Zone 5/6 returns to conditions that are similar to those in Zone 1/2 (host rock); this can be verified by comparing water compositions for Time Period 4B and Time Period 5 in Table 61 and Table 66. Quartz and calcite precipitation and CO2 consumption in Time Period 4 are less than in Zone 3/4 during Time Period 5, probably because the influent waters to Zone 5/6 have already reacted to elevated temperature and contact with quartz in the previous zone.Steel Corrosion Corrosion of structural steel used in ground support, the invert, and conveyances within the emplacement drifts is important as a potential sink for oxygen and as a source for ferric precipitates and colloids. Alloy A572 has been identified for use in ground support and the invert (CRWMS M&O 2000a) (TBV-3902). The mass and surface area of steel are shown in Table 27. Structural steel corrosion is important not because the steel will fail, which is certain during the first few hundreds or thousands of years after repository closure, but because corrosion consumes oxygen. Depending on the corrosion rate, oxygen fugacity in the EBS could decrease to levels that promote production of hydrogen as the steel corrodes, which in turn can promote corrosion of CRMs. 6.7.4 Scoping Calculation of Oxygen Demand A simple mass balance provides perspective on the potential chemical oxygen demand by steel in the EBS. Corrosion-resistant materials (i.e. titanium and Alloy-22) are not considered in the oxygen calculation because their demand is low (Assumption 5.7.5) From Table 27, the total mass of steel in all zones is 1185 kg per meter of drift. Assuming a half-reaction of the form - 2 2 e H FeOOH(s) 2 O O H Fe(s) + + = + + + (Eq. 85) the reactant mole ratio is Fe:O. The required mass of oxygen is Fe 2 O Fe 2 O FW FW m m × = (Eq. 86) where mFe = mass of iron (1185 kg/m) 2 O FW = formula weight of molecular oxygen (16.0 g/mol) FWFe = formula weight of iron (55.8 g/mol) ANL-EBS-MD-000033, REV 00 ICN 1 213 July 2000 Substituting values gives a total oxygen demand of mO2 = 339 kg/m. Dividing by the molecular weight of O2 gas (32.0 g/mol) converts this value to 1.06 ´ 104 mol O2/m, or 238 m3 of O2 gas at standard temperature and pressure (0°C, 1 atm). Taking the gas-filled porosity of the host rock as 1 percent, this mass of oxygen is contained in 2.38 ´ 104 m3 of host rock, which is approximately equal to the entire volume of rock above the repository. The cumulative flux of O2 gas into an emplacement drift, is calculated for the L4C4 location and “upper” infiltration, using different approaches as shown in Figure 28. The figure also indicates the total oxygen required for complete corrosion of EBS carbon steel as calculated above. It shows that the cumulative flux of O2 will eventually be sufficient to satisfy the oxygen demand, but this may not occur until several thousand years after closure. Corrosion will begin when relative humidity conditions permit (RH > 0.7), which will begin after only a few hundred years, for most locations in the potential repository. Therefore there may be a decrease in the O2 fugacity in the drifts. The Gas Flux and Fugacity Model (Figure 25) suggests that the decrease could be an order of magnitude or more, if the O2 consumption rate approaches the calculated maximum flux, compared with fugacity conditions without consumption. The oxygen demand will actually be satisfied by gas-phase transport throughout the repository block, i.e. multidimensional transport, which will moderate the fugacity decrease. In summary, this scoping calculation shows the needed oxygen is available in the host rock and can be replaced by natural processes, at a rate that is comparable to the rate of corrosion discussed below. Corrosion Rate for Structural Steel Whereas Alloy A572 has not been tested under controlled conditions representing repository service, long-term corrosion testing of compositionally similar A516 has been performed for the waste-package program (CRWMS M&O 2000b) (TBV-4586). An empirical rate expression for A516 corrosion in a vapor-phase environment is used to represent A572 in repository emplacement drifts (Assumption 5.7.2). In the expression, the corrosion rate depends on temperature and on the pH and NaCl concentration of the aqueous phase (Section 4.1.7.7). The corrosion rate does not depend on the cumulative extent of corrosion (Assumption 5.7.3). In this model, the onset of corrosion is delayed until RH increases to 70% (Assumption 5.7.4). Also, while precipitates are redissolved in the EBS, the corrosion rate is calculated for the chemical conditions present for most of the time period (Time Period 3B and Time Period 4B) rather than at the beginning (Assumption 5.7.5). Finally, when the threshold RH criterion for corrosion is reached before there is water through-flow (i.e., for Zone 5/6, Time Period 3), the influent water composition controls the corrosion rate (Assumption 5.7.6). Order-of-magnitude estimates for steel corrosion rate and O2 consumption are calculated in an attached spreadsheet routine (file: “th+gas_model-L4C4-ui-04.xls”; worksheet: Steel). These results indicate the following: . Steel present in the drifts can completely corrode in a few hundreds to thousands of years ANL-EBS-MD-000033, REV 00 ICN 1 214 July 2000 . The rate of steady-state oxygen consumption can exceed the maximum 1-D flux calculated to intercept the 5.5-m diameter drift . Corrosion rate is especially sensitive to pH, which varies by approximately 2 pH units with time, and across the EBS. Equation 10 shows that the pH effect is an order of magnitude greater than the temperature effect and is greater than the salt concentration effect except when CNaCl exceeds approximately 1% (which only occurs when evaporative precipitates are dissolved). These results indicate that oxygen fugacity in the EBS could be decreased through a combination of steel corrosion and the air mass-fraction effect discussed in Section 6.2. Steel corrosion rates calculated in this model (file: “th+gas_model-L4C4-ui-04.xls”; worksheet: Steel) may be lower bounds for the potential repository because of the stated assumptions and because of the choice of the L4C4 location with the “upper” infiltration distribution as the reference TH Model (Section 6.1). If so, the magnitude of O2 depletion would be less, but the duration could be extended. 6.7.5 Effects of Microbial Activity Microbial activity has been shown to accelerate the corrosion rate for carbon steel by a factor of approximately six (Assumption 5.4.5; Section 6.4). Thus, microbial activity could further decrease the oxidation potential in the EBS. Occurrence of suboxic conditions could also lead to changes in the microbial ecology of the host rock. 6.7.6 Corrosion-Resistant Materials Slow consumption of oxygen by corrosion of Ti-7 or Alloy-22 could contribute slightly to depletion of oxygen in the EBS. However, the potential rate of consumption is a small fraction of the oxygen availability calculated from the Gas Flux and Fugacity Model. For example, a Ti drip shield with surface area of 10 m2/m corroding to TiO 2 at a rate of 1 mm/yr would require an oxygen flux of Ti O2 Ti 2 MW MW Ar Flux Mass O × r = (Eq. 87) where A = area (e.g., 10 m2/m) r = general corrosion penetration rate (e.g., 10–6 m/yr = 3.17 ´ 10–14 m/sec) rTi = Ti density (4.5 ´ 103 kg/m3; (Weast and Astle 1981, p. B-159) MWO2 = molecular weight of O2 (0.032 kg/mol; (Weast and Astle 1981, p. B-126) MWTi = formula weight of Ti (0.0479 kg/mol; (Weast and Astle 1981, p. B-159) ANL-EBS-MD-000033, REV 00 ICN 1 215 July 2000 Substituting these values gives a mass flux of 9.5 ´ 10–10 kg of oxygen per yr per meter of drift. This is less than 2% of the maximum flux estimated using the model of Section 6.2. In addition to oxygen consumption, other potential impacts on the EBS bulk chemical environment, from corrosion of the drip shield and waste package, are assumed to be negligible in the 10,000-yr performance period (Assumption 6.7.7). 6.7.7 CO2 Consumption in the Engineered Barrier System In this model, CO2 is consumed or produced by several type of chemical processes: . Evaporation/condensation processes whereby solution conditions change, and CO2 is exchanged with the EBS environment . Precipitation/dissolution reactions involving such species as calcite and thermonatrite . Cement leaching in which alkaline fluids are discharged to the EBS environment and exchange CO2 The first two of these processes are summarized in Table 67, which combines results from EQ3 models of Zone 1/2 water composition, the CO2 demand represented by precipitation of the normative mineral assemblage in Zone 3/4 and Zone 5/6, and the EQ6 models for the redissolution of these precipitates and the subsequent flow of water through the EBS. These results show that throughout the EBS and the host rock, CO2 production and consumption are minor, except for interaction with precipitates and salts formed by evaporation during the thermal period (Figure 33). Demand is greatest during formation of the normative assemblage of evaporative precipitates, and dissolution of these precipitates in the next time period. 6.7.7.1 Effects of Cementitious Materials The CO2 balance is expanded to include leachate from rockbolts (Table 67). The leachate flow rate and chemistry are described by the Cementitious Materials Model. The results show that the CO2 demand on equilibration of the leachate with CO2 and quartz sand in the EBS is small compared with consumption and production from other causes. This is primarily controlled by the small volume of leachate, which in turn is related to the permeability of the grout. The leachate flow, and the consequent rate of CO2 consumption, could increase by approximately one order of magnitude without substantially affecting the cumulative CO2 balance shown in Table 67. This can be concluded by comparing the cumulative 1-D CO2 flux through an 81-m wide pillar, with the cumulative in-drift CO2 production, with cement. The availabe CO2 flux (considering the pillar in addition to the rock directly over the drift opening) far exceeds the difference between the in-drift cumulative CO2 production, with and without cement. ANL-EBS-MD-000033, REV 00 ICN 1 216 July 2000 Table 67. CO2 Consumption in the Engineered Barrier System from Evaporation and Dissolution/Precipitation Processes Rate of CO2 Production Maximum In-Drift (Full- Incl. Host Rock In-Drift with Percent 1-D CO2 Flux Drift) Total (wrt Zone 0) Cement Change in Nominal to Potential CO2 Budget CO2 Budget CO2 Budget CO2 Budget Time Time Repository Produced Produced Produced w/ Cement Period (yr) (kg/m-sec) (kg/m-sec) (kg/m-sec) (kg/m-sec) (%) 1 100 8.03E-10 0.00E+00 -1.84E-10 0.00E+00 0.0 2 500 8.03E-10 -1.73E-10 -1.05E-10 -1.74E-10 1.1 3A 1000 8.03E-10 -7.63E-09 -6.94E-09 -7.64E-09 0.1 3B 1000 8.03E-10 -8.24E-10 -1.29E-10 -8.33E-10 1.0 4A 2000 8.03E-10 4.45E-08 6.39E-08 4.45E-08 0.0 4B 2000 8.03E-10 -4.47E-11 1.99E-11 -5.10E-11 14.1 5 5000 8.03E-10 -2.29E-11 3.51E-11 -3.95E-11 72.4 Cumulative CO2 Production Cumulative In-Drift Incl. Host Rock In-Drift with Time 1-D CO2 Flux (Full-Drift) Total (wrt Zone 0) Cement Period through an Cumulative Cumulative Cumulative Time Duration 81-m Pillar CO2 Produced CO2 Produced CO2 Produced Period (yr) (kg CO2/m) (kg CO2/m) (kg CO2/m) (kg CO2/m) 1 250 6.34E+00 0.00E+00 -1.45E+00 0.00E+00 2 400 1.65E+01 -2.18E+00 -2.78E+00 -2.20E+00 3A 14 1.68E+01 -5.55E+00 -5.84E+00 -5.58E+00 3B 783 3.67E+01 -2.59E+01 -9.03E+00 -2.62E+01 4A 40 3.77E+01 3.03E+01 7.17E+01 3.00E+01 4B 892 6.03E+01 2.90E+01 7.22E+01 2.86E+01 5 5000 1.87E+02 2.54E+01 7.78E+01 2.24E+01 Source: file “CO2balanceV1.2.xls” (Attachment I) NOTES: Positive values for CO2 production signify release of CO2 to the gas phase; negative production signifies net consumption. Half-drift (symmetry model) results are multiplied by two to obtain full-drift results. ANL-EBS-MD-000033, REV 00 ICN 1 217 July 2000 Figure 33. CO2 Budget for Reference Model (L4C4 location; “upper” infiltration) Leachate composition is similar to the water composition that evolves when evaporative precipitates are redissolved (compare Table 64 compositions with the Cementitious Materials Model, Table 39). 6.7.8 Chemical Reference Model Validation The reference model is valid for its intended use at conceptual level, which is to improve understanding of changes in the EBS bulk chemical environment during thermal evolution of the potential repository, and to support post-closure aspects of the design basis for the drip shield and waste package. The Chemical Reference Model combines inputs from the submodels including TH Model, Gas Flux and Fugacity Model, Normative Precipitates and Salts Model, and other aspects of the EBS Physical and Chemical Environment Model to produce a description of chemical processes in the EBS. This description involves the use of EQ3/6 software, and thermodynamic and kinetic data taken from widely used sources. Model validation discussion for these submodels or components of the Chemical Reference Model is provided in Sections 6.1 through 6.6. Based on this discussion, the Chemical Reference Model CO2 Budget from Chemical Reference Model (L4C4 location; "upper" infiltration) -1.0E-08 0.0E+00 1.0E-08 2.0E-08 3.0E-08 4.0E-08 5.0E-08 6.0E-08 7.0E-08 100 1000 10000 Time (yr) CO2 Produced (kg/m-sec) In-drift CO2 budget With host rock, referred to Zone 0 In-drift CO2 budget with cement Max. CO2 flux in pillar, from 1-D model ANL-EBS-MD-000033, REV 00 ICN 1 218 July 2000 provides valid predictions of solution composition and mineral precipitation and dissolution, for use in supporting the conceptual basis for predicting repository performance.. Model Uncertainties There are uncertainties associated with the reference model, particularly the discretization discussed previously. However, these are bounding, or are caused by calculating the average composition of the bulk environment, and are therefore consistent with the intended use of the model at a conceptual level. The principal uncertainties associated with this model arise from spatial and temporal discretization, and heterogeneity of flow processes in the drifts. The timing of precipitate and salt formation in the drifts, and estimates of the quantities produced, are approximate because of discretization used in the interpretation of the TH model (Section 6.1.4). Temporal and spatial discretization may cause overestimation of the total mass of precipitated salts, and overestimation of the residence time of salts in the backfill and invert. Spatial granularity also causes averaging of the calculated chemical conditions in the host rock, backfill, and invert. Redissolution of precipitates and salts may occur faster (with higher pH and dissolved solids) or slower (lower pH and dissolved solids) than predicted by the reference model. Calculations show that precipitates can be readily redissolved and removed, by seepage fluxes which are comparable in magnitude to those which evaporated to produce the precipitates in the first place. There are no chemical constraints that would prevent rapid redissolution of precipitates and salts, however, there may be hydrologic factors such as flow heterogeneity that limit access of water to soluble salts. The Gas Flux and Fugacity Model (Section 6.2) is also an approximation; an appreciation of the uncertainty in this model can be drawn from comparison with results from other models (Figure 29). Another area that is not addressed by the Chemical Reference Model, and remains uncertain, is the effect of gamma radiolysis on the chemical environment outside the waste packages. Radiolysis in moist air can produce reactive chemical species, particularly hydrogen peroxide and nitric acid, with the potential to corrode the waste package or drip shield. An argument has been developed which shows that hydrogen peroxide will not increase the corrosion rate for Alloy-22 (CRWMS M&O 2000i; Section 3.1.6.6). This argument does not apply to the production of nitric acid or closely related species from radiolysis of nitrogen in air, which remains uncertain. 6.7.9 Discussion and Summary of the Bulk Chemical Environment The TH reference case is chosen to maximize seepage influx, evaporation, evaporative solution concentration, and formation of precipitates and salts in the emplacement drifts. Output from this reference case is combined with the Gas Flux and Fugacity Model, to define boundary conditions on the Chemical Reference Model. The reference model consists of chemical reaction-cell calculations which show that mobile water in the backfill can approach pH 11 when evaporative salts and precipitates are present. ANL-EBS-MD-000033, REV 00 ICN 1 219 July 2000 Higher pH may occur locally in waters that are saturated with respect to salts such as thermonatrite, but which have high ionic strength (I >> 1 molal) and were not modeled in this report. As relative humidity increases during cooldown, the salt-saturated brines will eventually become diluted, and pH will decrease. Saturated brines will form when precipitates and salts are present, and there is sufficient humidity. The reference model considers the chemical effects when precipitated salts are dissolved and diluted to 1 molal ionic strength by seepage. However, because of uncertain hydrologic flowpaths in the drifts, a more conservative approximation is the continued presence of salts which are in equilibrium with the humidity in the drift environment. Humidity is ubiquitous in the drift environment, and will determine the limiting concentration of salt solutions, by establishing moisture equilibrium with brines and more dilute solutions. For application of the Chemical Reference Model to chemical conditions on the surface of the drip shield, saturated brine would be present after the start of Time Period 2 (300 to 700 years), when relative humidity exceeds 50 percent (for nitrate salts) or 85 percent (for other salts). The different salts can occur separately, or in mixtures. The concentrations of soluble salts in brines that are in moisture equilibrium with the drift air, will decrease as the relative humidity increases. Based on the foregoing discussion, relative humidity can be used as a “master variable” in bounding models for water composition in contact with the drip shield or waste package. Evolution of relative humidity at the drip shield surface, for the four TH models calculated in Section 6.1, is shown in Figure 34. In general, it is shown that the model has an appropriate level of confidence suitable for its intended use. It is noted that modeling of the in-drift chemical environment during the thermal period requires analysis of evaporation, and formation of salts. This requirement limits the available modeling approaches. The Chemical Reference Model approach “couples” different aspects of the in-drift environment, but it is not fully coupled as is the Drift-Scale THC Seepage Model (CRWMS M&O 2000d). Rather, it is a reference model designed to evaluate the effects of salt formation on the bulk chemical environment (e.g. CO2 budget). ANL-EBS-MD-000033, REV 00 ICN 1 220 July 2000 RH vs. Time at the Drip Shield Surface (Zone 4, TH Models, P&CE AMR) 0.0 0.2 0.4 0.6 0.8 1.0 100 1000 10000 100000 1000000 Time (yr) RH L4C1 edge location; "upper" infiltration L4C4 center location; "upper" infiltration L4C4 center location; "lower" infiltration L4C1 edge location; "lower" infiltration Nitrate, chloride, & sulfate brines form; most deliquescent are nitratres & divalent chloride salts. Brine dilution by humidity Possible flushing of salts by seepage Figure 34. Relative Humidity vs. Time Averaged in the Backfill Region Just Above the Upper Drip Shield Surface (Zone 4) 7. CONCLUSIONS This report follows the work scopes presented in Section 1 and fulfill the specific tasks and activities included in the development plan (CRWMS M&O 1999c) as documented in previous sections. The following sections summarize the results and conclusions from the constituent models of the EBS P&CE Model: . Thermal Hydrology Model . Gas Flux and Fugacity Model . Cementitious Materials Model . Microbial Effects Model . Normative Precipitates and Salts Model . EBS Colloids Model . Chemical Reference Model ANL-EBS-MD-000033, REV 00 ICN 1 221 July 2000 Descriptions of the models listed above were provided in Sections 6.1 through 6.7. The model validation includes provision of scientific literature, parameter input, assumptions, simplifications, initial and boundary conditions; explanation of how the software are used; expected source of uncertainty (i.e.TBV tracking); comparison with data from measurements or from alternative conceptual models; and computer data files to allow independent repetition of the model simulation. It is determined that these models are validated for their intended use at conceptual level. The uncertainties and restrictions of the models are provided in the summary sections of each model in Section 6. These results and conclusions form the basis for specifying the environment in which the drip shield and waste package must perform and for EBS performance-assessment calculations. (Note that although the models described in this report develop data, but it is not expected to be directly used as inputs for other technical products. It is expected that only a summary of information will be used. Therefore no DTNs are provided for model output at this time.) The software and most of the inputs used in this AMR are TBV; therefore all conclusions are unqualified. The use of any unqualified technical information or results from this model as input in documents supporting construction, fabrication, or procurement, or as part of a verified design to be released to another organization, is required to be identified and controlled in accordance with appropriate procedure. The impact of uncertainty of some of the key input variables (e.g., infiltration flux and thermal conductivity of the host-rock units) were addressed in previous section of this AMR. Changes to the inputs and/or software will require reproducing this model. This document may be affected by techincal product input information that requires confirmation. Any changes to the document that may occur as a result of completing confirmation activities will be reflected in subsequent revisions. The status of the input information quality may be confirmed by reviw of the Document Input Reference System database. 7.1 THERMAL HYDROLOGY The environmental conditions needed for chemical modeling were evaluated for six zones representing the in-drift environment and the surrounding host rock. Zone-averaged conditions were calculated for five time intervals representing the postclosure period from 50 to 10,000 yr after waste emplacement. Four TH cases were run using NUFT V3.0s. Zone fluxes, evaporation, and analysis of the hypothetical migration of a conservative solute were used to choose one case as a conservative representation of TH conditions to carry forward in an analysis of the chemical environment. This is the L4C4 location from the Multiscale TH Model with the “upper” infiltration distribution. This case tends to maximize the liquid water flux in the EBS during the thermal period, which enhances the rate of evaporation and the potential for chemical precipitation. The residence time of liquid water in the EBS tends to be minimized because of the liquid flux, and the air mass-fraction tends to be minimized because of the rate of evaporation. ANL-EBS-MD-000033, REV 00 ICN 1 222 July 2000 Based on these results, the zone-averaged temperature, liquid masses, and gas- and liquid-phase fluxes are specified for chemical modeling of three composite zones representing the host rock, backfill, and invert. Temperature Cooldown occurs sooner for conditions representing the repository edge. Low-flux conditions produce greater peak temperatures and slower cooldown because less liquid water is available to evaporate and transfer latent heat. Liquid Saturation and Dryout The spatial extent of dryout (zero or low liquid saturation) is greater for low-flux conditions. Water returns to the EBS environment sooner for high-flux conditions and for repository-edge conditions. After cooldown, the liquid water saturation in the upper part of the backfill is approximately 10 percent to 20 percent, depending on “lower” or “upper” infiltration conditions, respectively. Evaporation Rate and Air Mass-Fraction Evaporation tends to be localized to a narrow zone above the dryout zone; this narrow zone recedes toward the drip-shield surface as the heat-source strength decays with time. The rate of evaporation from all zones is much smaller than the total thermal output of the waste packages for the first few hundred years. When the extent of dryout stabilizes, depending on the timing and magnitude of infiltration flux, more than half of the thermal output is converted to latent heat by evaporation. For the “upper” infiltration distribution, there is more sustained evaporation than for the “lower” infiltration. The peak in evaporation rate occurs sooner for the repository edge than for the center. The minimum air mass-fraction is approximately 10–3 when evaporation rate is maximized for the selected case (L4C4 location; upper infiltration). Gas-Phase Mass Flux For the NUFT V3.0s models used in this report, the gas-phase mass flux is driven by evaporation of water vapor. The maximum upward mass flux during the thermal period occurs in the host rock directly above the drift; it does not necessarily occur at the drift wall, but may occur several meters within the host rock. There is a slight circulation whereby the mass flux is downward in the pillar and upward near the drift at the drift elevation. The magnitude of the downward flux is much smaller than that of the upward flux. ANL-EBS-MD-000033, REV 00 ICN 1 223 July 2000 Potential for Salt Accumulation When zones have no liquid outflow, substantial accumulation of soluble salts may occur from evaporation (the zones need not be dry for this to occur). Solute mass on the order of 2 ´ 105 times the solute mass present in 1 kg of reference composition may accumulate in Zone 4 (drip-shield surface). For example, if chloride is present in the reference water at 7 mg/L (typical for J-13 water), the accumulated mass of chloride in the backfill could approach 1.5 kg per meter of drift. For the repository-edge location, the potential accumulation of soluble salts is less than at the center because there is less heat available for evaporation. For the “lower” infiltration results, there is greater potential for solute accumulation in the invert. The conservative solute analysis is approximate, and is used to select a TH case for the Chemical Reference Model. The solute accumulation results are affected by the granularity of spatial and temporal discretization. Also, boiling point elevation from solute concentration was not included in the models, and could affect the timing and location of contact between concentrated waters and the engineered barriers. 7.2 GAS FLUX AND FUGACITY A mass-transfer model was developed for gas-phase transport of CO2 and O2 gases in the unsaturated zone, and it was calibrated to 14C data for ambient conditions. The model is used to develop linear flux–fugacity relations for CO2 and O2, which are used in chemical modeling. It is an approximate model for which the assumptions and limitations are discussed in Section 5.2. Discussion of Conservatism in the Bounding Estimates The gas-phase CO2 and O2 fugacities, and their variation with mass flux, represent conservative estimates for availability of these reactants in the drifts because: . Aqueous fluxes of CO2, are neglected in the model. . One-dimensional transport is assumed, but there are indications from TH modeling (Section 6.1) that multidimensional gas-phase occurs. The wide drift spacing associated with the EDA II design concept allows for cooler temperatures in the pillars, which promotes convective circulation. . Retrograde solubility is neglected in the model; hence, the gas-liquid phase partitioning does not change as a function of temperature. With higher temperature, the distribution coefficient Kd actually decreases, which promotes CO2 transport. The Gas Flux and Fugacity Model neglects chemical processes that control partitioning of CO2 between solid, liquid, and gas phases. However, as shown in the Chemical Reference Model, there is likely to be net production of CO2 in the gas phase associated with heating; therefore, the ANL-EBS-MD-000033, REV 00 ICN 1 224 July 2000 neglected processes would tend to increase the CO2 fugacity and, thus, the model provides lower-bound values. 7.3 CEMENTITIOUS MATERIALS This model provides conservative estimates for flow rate and chemistry of grout leachate and for the interaction of leachate with backfill and CO2 in the EBS. For as long as the grout remains substantially intact inside the rockbolt holes, the flow of water that interacts directly with grout is projected to be a small fraction of the seepage inflow into the drifts. As grout leachate chemically equilibrates with CO2 and quartz backfill in the EBS, the composition approaches that of seepage water, except for the high sulfate produced by ettringite dissolution at elevated temperature. When mixed with other waters in the EBS, the sulfate (which tends to act as a conservative species) is diluted, and the leachate becomes a minor contributor to the EBS bulk chemical environment. Composition of Grout Leachate Leachate pH values of 10.2 to 11.5 are predicted, depending primarily on the solubility of portlandite, which increases at lower temperature. These elevated pH values for leachate will probably not occur at the drip shield or at the waste package because of mixing with other water in the EBS and because of reaction with quartz-sand backfill and gas-phase CO2. After equilibration with CO2 and quartz-sand backfill, pH of approximately 8.5 is predicted. This result does not take into account evaporative concentration in the backfill, which is important during Time Period 2 and Time Period 3. However, the composition of the equilibrated leachate is similar to seepage waters during the same time periods, and the quantity of leachate is a small fraction of the seepage, so the impact on the bulk chemical environment will be minor. Sulfate concentrations as great as 1200 mg/L in grout leachate are predicted at the highest temperatures because of the temperature-dependent solubility of ettringite. The total mass of sulfate depends on the flow rate, which may vary from less than one to several hundred mL/yr per rockbolt. Factors Limiting Chemical Effects from Rockbolt Grout The grout permeability is small (Assumption 5.3.8), which limits chemical interaction of the grout with the EBS environment while increasing the longevity of the grout to dissolution. Very small flow rates, on the order of few mL/yr per rockbolt, are obtained using the saturated permeability of the grout. A more conservative bounding approach was developed, based on the ratio of rockbolt crosssectional area to the drift diameter, to estimate the average flow rate for leachate into the drift. This method produces flow rates on the order of 75 to 330 mL/yr per rockbolt, or a few percent of the total seepage inflow to the drifts. These estimates are valid for as long as most of the grout is contained in the rockbolt holes, which is directly related to grout longevity. For the reference model, neither ettringite nor portlandite completely dissolves for at least 1500 yr. Other phases (brucite, tobermorite) are more stable to dissolution and will tend to alter in ANL-EBS-MD-000033, REV 00 ICN 1 225 July 2000 place to more thermodynamically stable minerals. These results are based on the reference TH case (Section 6.1), which provides a conservatively high seepage flow rate and, therefore, tends to maximize the rates of dissolution for ettringite and portlandite. 7.4 MICROBIAL EFFECTS Bacteria and fungi are present in the host rock at Yucca Mountain, and laboratory testing has shown that when moisture and nutrient sources are available, microbial activity can produce MIC of carbon steel and waste-package materials. Microbial growth and activity in the host rock at ambient (prerepository) conditions are limited by the availability of water and nutrients, particularly phosphate. Dryout of the EBS during the repository thermal period will further limit water, arresting microbial growth and activity. Based on known microbial responses, the time until return of microbial growth and activity can be estimated from environmental factors. Observations of temperature-dependence reported in published literature show that no microbial activity will occur at temperatures greater than 120°C in aqueous environments. Reported dependence on humidity shows that growth and activity do not generally occur at less than approximately 90% RH. When salts are present, the threshold RH could decrease, depending on deliquescent behavior of the salts (Figure 35). In principle, bacteria are capable of degrading all EBS materials. The primary electron donors in the EBS will be metals (such as steel) or metal ions in reduced form (such as the ferrous ion, and also hydrogen or methane if available). The primary electron acceptors will be sulfate, nitrate, and gas-phase oxygen. The backfill will consist of clean, washed quartz sand, which is not an energy source. EBS water-diversion features, including the drip shield, will protect the waste package during the thermal period and beyond. No salts or necessary nutrients such as phosphate will be deposited on the waste package as long as the drip shield is intact and functions as intended. Even if RH is greater than 90% under the drip shield, MIC of the waste package will be insignificant until dripshield failure occurs. This assumes that the dust deposited on the waste package surface will not sustain significant growth and activity. When the drip shield is exposed to sufficient humidity or liquid water, MIC can occur, as observed in laboratory tests. When the drip shield allows liquid water penetration, or the waste package comes into direct contact with backfill or invert materials, MIC of the waste package can occur. In laboratory microcosm tests, MIC has been observed to accelerate the corrosion of carbon steel (C1020) by a factor of approximately six. This may be an upper bound because the test cells were saturated and had crushed tuff and glucose added. 7.5 PRECIPITATES AND SALTS A normative model for precipitate formation has been developed; it incorporates laboratory data from evaporation of synthetic J-13 water and synthetic porewater, plus thermodynamic insights. A set of mineral precipitates is identified that can accommodate all the major ions and many of the minor species that constitute J-13 water and similar waters. Application of the model to the laboratory test results shows qualitative agreement with most major precipitates identified in the laboratory tests, while incorporating other species (not detected) as needed for mass balance. ANL-EBS-MD-000033, REV 00 ICN 1 226 July 2000 Conditions for MIC at the Drip Shield Surface (Zone 4) 0.0 0.2 0.4 0.6 0.8 1.0 0 50 100 150 200 250 Temperature (C) RH L4C4 center location; "upper" infiltration L4C4 center location; "lower" infiltration L4C1 edge location; "upper" infiltration L4C1 edge location; "lower" infiltration Halophile activity at RH>75% Microbial activity at RH>90% Microbial activity at T<120 C Arrows signify direction of TH evolution Figure 35. Conditions for MIC at the Drip Shield Surface Empirical Basis for Normative Model of Precipitate Formation Test results for synthetic J-13 water are sensitive to the CO2 fugacity. The tests were performed under atmospheric CO2 conditions, which limited pH to the range 10 to 11 for evaporative concentration values as great as 150´ and greater. Smaller values for the CO2 fugacity will tend to cause higher pH. Thus, if corrosion processes are sensitive to high pH, the measured pH values are lower bounds. Bicarbonate-type waters, such as J-13 water, are more sensitive to CO2 fugacity during evaporative concentration and are more likely to produce high-pH conditions than are sulfatetype waters, such as the synthetic porewater investigated. The synthetic J-13 results are therefore bounding with respect to high-pH conditions at the surface of the drip shield or the waste package during the thermal period. Sulfate-type or chloride-type waters tend to produce much lower pH values when concentrated evaporatively (4 pH units difference was observed). Limited Volume of Concentrated Waters Experimental results for synthetic J-13 water (with and without tuff present) show that, for pH to exceed 10, evaporative concentration factors greater than 150´ are required. Thus, the potential volumes and flow rates of affected solutions will be small. Saturation of the backfill in affected ANL-EBS-MD-000033, REV 00 ICN 1 227 July 2000 locations will be small, and the relative permeability and consequent mobility of these solutions will be limited. If a water composition that is similar to but more dilute than J-13 water is used (e.g., condensate), the results will be similar to the synthetic J-13 results presented here. However, greater evaporative concentration factors would be required to achieve the same pH values. The mass of solute involved, and the potential volume of high-pH liquid, would be even smaller than for J-13. 7.6 COLLOIDS Colloids are important in assessing repository performance only if they irreversibly sorb radionuclides and the resulting radioactive colloids are physically stable enough to survive flow and transport through the groundwater system to the accessible environment. Although the mass of iron-bearing corrosion products retained within the drift at any time will change the local bulk fluid and solid chemistry, entrained colloids are not expected to materially affect bulk chemistry along the downstream flow paths. Based on the bounding analysis presented in Section 6.6, there is less than 5% probability that the total mass of entrained colloids will exceed 10% of the total dissolved solids content of J-13 water (Section 6.6.3.3). The increase in radionuclide content from sorption on colloids is likely to be less than 10´ the solubility limit of the radionuclide, unless the sorption coefficient exceeds 105 mL/g. Under the chemical conditions expected within the drift, actinides are less strongly sorbed and more rapidly desorbed by siliceous colloids than by hematite and goethite. Measured sorption coefficients for Pu on silica colloids (103 to 104 mL/g) are lower by about two orders of magnitude than for Pu sorption on hematite colloids (105 mL/g). Chemical and hydrologic conditions within the drift cannot be predicted with sufficient certainty to exclude the formation of stable colloids of hematite or goethite. Based on relatively high values of measured sorption coefficients and the paucity of evidence for reversible sorption of Pu and Am on iron colloids, an upper bound on the total radionuclide content of 10 to 100 times the solubility limit is recommended for use in performance assessment. Sorption on clays and silica colloids is not likely to be significant. 7.7 CHEMICAL REFERENCE MODEL Calculations show that pH will be in the approximate range of 8.5 to 11 in the EBS bulk chemical environment during the thermal period (Figure 36). There is the potential for tens to hundreds of kilograms of mineral precipitates—comprising mostly silica, sulfate salts, carbonates, and halite—to accumulate in the EBS. Ionic strength is dilute (e.g., less than 0.1 molal) during the thermal period, except for evaporative concentration, and redissolution of precipitates and salts (Figure 37). Redissolution of precipitates is difficult to model accurately because thermochemical models lack data support for extreme concentration and temperature conditions and because the ANL-EBS-MD-000033, REV 00 ICN 1 228 July 2000 distribution of flow in the EBS depends on changes in backfill properties and the nature of seepage from the host rock. Accordingly, a bounding conceptual model for chemical conditions on the drip shield surface would include the presence of precipitates and the aqueous conditions at equilibrium with these precipitates, given the extant TH conditions in the EBS. The effect of solute concentration on boiling point elevation is not included in the Chemical Reference Model, or its supporting TH cases. Inclusion of the effect could lead to decreased evaporation at certain times and locations in the simulations. This could decrease the driving force for gas-phase advection, and increase the mobility of evaporatively concentrated solutions under the influence of gravity or capillary gradients. The result could be to cause saturated brines to contact the engineered barriers sooner than predicted by the reference model. Such contact could occur in smaller regions of the in-drift environment than are represented by the reaction cells (zones) used in the reference model. Also, redissolution of salts in the drifts could proceed sooner, or at a faster rate, because of the presence of aqueous conditions. The presence of aqueous conditions near the waste package, earlier during thermal evolution of the repository, could increase the importance of gamma-radiolysis (which was not addressed in this report). Within the overall framework of the Chemical Reference Model and its application to understanding the in-drift environment, the implications of boiling point elevation pertain mainly to the timing of salt solutions contacting the engineered barriers. The nature of salts produced by evaporation, and the chemical conditions described by the bounding conceptual model discussed above, would probably not be changed. CO2 Consumption in the EBS On the whole, throughout the EBS and the host rock, CO2 is produced rather than consumed during the thermal period. CO2 demand is greatest during formation of the normative assemblage of evaporative precipitates, but is more than equaled by production in the host rock as formation water warms and is exposed to lower fugacity. Effects of Cementitious Materials Cement leachate composition is similar to the water composition that evolves when evaporative precipitates are redissolved (Section 6.3.8). CO2 demand frmo equilibration of leachate with CO2 and quartz sand in the EBS is small compared with consumption and production from other causes (Section 6.7.7.1). This is primarily controlled by the small flow of leachate, which in turn is related to the grout permeability (Assumption 5.3.8). The leachate flow could increase by as much at least an order magnitude without impacting the CO2 balance. Corrosion of Structural Steel Steel present in the drifts can completely corrode in a few decades or a few centuries. The oxygen necessary for corrosion is available in the host rock and will be readily replaced by natural processes; however, oxygen fugacity in the EBS could be substantially decreased through a combination of steel corrosion and the air mass-fraction effect. ANL-EBS-MD-000033, REV 00 ICN 1 229 July 2000 The important issue for predicting the EBS environment is the relation between the corrosion rate for steel and the O2 fugacity. Advancement in modeling of gas transport in the host rock will be of limited value in elucidating the O2 fugacity in the drifts. Improved prediction will be based on new data or interpretation of corrosion rate vs. PO2 for structural steel. Effects of Microbial Activity Microbial activity has been shown to accelerate the corrosion rate for carbon steel by a factor of approximately six. Thus, microbial activity could further decrease the oxidation potential in the EBS, and anoxic conditions could lead to proliferation of organisms that may not presently be important contributors to microbial ecology of the host rock. Corrosion-Resistant Materials Slow consumption of oxygen by corrosion of Ti-7 or Alloy-22 could contribute slightly to depletion of oxygen in the EBS. However, the potential rate of consumption is a small fraction of the calculated oxygen availability. ANL-EBS-MD-000033, REV 00 ICN 1 230 July 2000 pH Evolution for Reference Model 8 9 10 11 10 100 1000 10000 Time (yr) pH Host Rock (Zone 1/2) Backfill (Zone 3/4) Invert (Zone 5/6) The backfill and invert are dry until Time Period 3 (700 to 1500 yr) and Time Period 4 (1500 to 2500 yr), respectively. Figure 36. pH vs. Time for the Chemical Reference Model Ionic Strength Evolution for Reference Model 0.001 0.01 0.1 1 10 100 1000 10000 Time (yr) Ionic Strength (molal) Host Rock (Zone 1/2) Backfill (Zone 3/4) Invert (Zone 5/6) The backfill and invert are dry until Time Period 3 (700 to 1500 yr) and Time Period 4 (1500 to 2500 yr), respectively. Figure 37. Ionic Strength vs. Time, for the Chemical Reference Model ANL-EBS-MD-000033, REV 00 ICN 1 231 July 2000 8. INPUTS AND REFERENCES 8.1 DOCUMENTS CITED AISC (American Institute of Steel Construction) 1989. Manual of Steel Construction, Allowable Stress Design. 9th Edition. Chicago, Illinois: American Institute of Steel Construction. TIC: 205770. Atkins, P.W. 1990. Physical Chemistry. (4th edition) New York, New York: W.H. Freeman & Co. TIC: 245483. Atlas, R.M. and Bartha, R. 1981. Microbial Ecology: Fundamentals and Applications. Reading, Massachusetts: Addison-Wesley Publishing. TIC: 246870. Bear, J. 1988. Dynamics of Fluids in Porous Media. New York, New York: Dover Publications. TIC: 217568. Bird, R.B., Stewart, W.E., and Lightfoot, E.N. 1960. Transport Phenomena. New York, New York: John Wiley & Sons, Inc. TIC: 208957. Bodvarsson, G.S.; Bandurraga, T.M.; and Wu, Y.S., eds. 1997. The Site-Scale Unsaturated Zone Model of Yucca Mountain, Nevada, for the Viability Assessment. LBNL-40376. Berkeley, California: Lawrence Berkeley National Laboratory. ACC: MOL.19971014.0232. Borenstein, S.W. 1994. Microbiologically Influenced Corrosion Handbook. p. 288. New York, New York: Industrial Press. TIC: 241092. Brooks, R.H. and Corey, A.T. 1966. "Properties of Porous Media Affecting Fluid Flow." Journal of the American Society of Civil Engineers, Irrigation and Drainage Division, 92, (IR2), 61-89. New York, New York: American Society of Civil Engineers. TIC: 216867. Brown, A.D. 1976. "Microbial Water Stress." Bacteriological Reviews, 40, (4), 803-846. Baltimore, Maryland: Williams & Wilkins Co. TIC: 247692. Broxton, D.E.; Warren, R.G.; Byers, F.M.; and Scott, R.B. 1989. "Chemical and Mineralogic Trends Within the Timber Mountain-Oasis Valley Caldera Complex, Nevada: Evidence for Multiple Cycles of Chemical Evolution in a Long-Lived Silicic Magma System." Journal of Geophysical Research, 94, (B5), 5961-5985. Washington, D.C.: American Geophysical Union. TIC: 225928. Buscheck, T.A.; Shaffer, R.J.; and Nitao, J.J. 1997. Pretest Thermal-Hydrological Analysis of the Drift-Scale Thermal Test at Yucca Mountain. Livermore, California: Lawrence Livermore National Laboratory. ACC: MOL.19980507.0359. CRWMS M&O 1998a. "Thermal Hydrology." 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Las Vegas, Nevada: Yucca Mountain Site Characterization Office. ACC: MOL.20000510.0177. ANL-EBS-MD-000033, REV 00 ICN 1 238 July 2000 8.2 CODES, STANDARDS, REGULATIONS, AND PROCEDURES AP-2.13Q, Rev. 0, ICN 4. Technical Product Development Planning. Washington, District of Columbia: U.S. Department of Energy, Office of Civilian Radioactive Waste Management. ACC: MOL.20000620.0067. AP-3.10Q, Rev. 2, ICN 2. Analyses and Models. Washington, District of Columbia: U.S. Department of Energy, Office of Civilian Radioactive Waste Management. ACC: MOL.20000619.0576. AP-3.15Q, Rev. 1, ICN 2. Managing Technical Product Inputs. Washington, District of Columbia: U.S. Department of Energy, Office of Civilian Radioactive Waste Management. ACC: MOL.20000713.0363. AP-SI.1Q, Re v. 2, ICN4. Software Management. Washington, District of Columbia: U.S. Department of Energy, Office of Civilian Radioactive Waste Management. ACC: MOL.20000223.0508. ASME (American Society of Mechanical Engineers) A.207. 1995. 1995 Boiler and Pressure Vessel Code - Section II Materials - Part A Material Specification-Ferrous - SA-516/SA-516M Specification for Pressure Vessel Plates, Carbon Steel, for Moderate- and Lower- Temperature Service (ASTM A 516/A 516M-90). New York, New York: American Society for Testing and Materials. TIC: 245287. ASTM B 575-94. 1994. Standard Specification for Low-Carbon Nickel-Molybdenum-Chromium, Low-Carbon Nickel-Chromium-Molybdenum, and Low-Carbon Nickel-Chromium-Molybdenum- Tungsten Alloy Plate, Sheet, and Strip. Philadelphia, Pennsylvania: American Society for Testing and Materials. TIC: 237683. ASTM A572/A572M-97. 1997a. Standard Specification for High-Strength Low-Alloy Columbium-Vanadium Structural Steel. Philadelphia, Pennsylvania: American Society for Testing and Materials. TIC: 241041. ASTM A 240/A 240M-97a. 1997b. Standard Specification for Heat-Resisting Chromium and Chromium-Nickel Stainless Steel Plate, Sheet, and Strip for Pressure Vessels. West Conshohocken, Pennsylvania: American Society for Testing and Materials. TIC: 239431. QAP-2-0, Rev. 5, ICN1. Conduct of Activities. Las Vegas, Nevada: CRWMS M&O. ACC: MOL.19991109.0221. QAP-2-3, Rev. 10. Classification of Permanent Items. Las Vegas, Nevada: CRWMS M&O. ACC: MOL.19990316.0006. 8.3 SOURCE DATA ANL-EBS-MD-000033, REV 00 ICN 1 239 July 2000 8.3.1 Thermal Hydrology Model (See Section 6.1) DTN: MO9911MWDEBSWD.000. EBS Water Drainage Model. Submittal date: 11/29/99. DTN: LB990861233129.001 “Drift Scale Calibrated 1-D Property Set, FY99.” (Base-case infiltration). Submittal date: 08/06/1999. DTN: LB990861233129.002 “Drift Scale Calibrated 1-D Property Set, Fy99.” (Upper-bound infiltration). Submittal date: 08/06/1999. DTN: LB990861233129.003 “Drift Scale Calibrated 1-D Property Set, Fy99.” (Lower-bound infiltration). Submittal date: 08/06/1999. DTN: SN9908T0872799.004. Tabulated In-Drift Geometric and Thermal Properties Used in Drift-Scale Models for TSPA-SR (Total System Performance Assessment-Site Recommendation). Submittal date: 08/30/1999. DTN: SN9907T0872799.001. Heat Decay Data and Repository Footprint for Thermal-Hydrolgic and Conduction-Only Models for TSPA-SR (Total System Performance Assessment-Site Recommendation). Submittal date: 07/27/1999. DTN: LB99EBS1233129.001. Natural Environment Data for Engineered Barrier System (EBS) Basecase. Submittal date: 11/29/99. DTN: LB99EBS1233129.004. Natural Environment Data for Engineered Barrier System (EBS) Basecase. Submittal Date: 11/29/99. DTN: LL980810004244.067. The Drift Scale Test Effect Of The Chemistry Of Pore Gases And Pore Water. Submittal date: 08/24/98. 8.3.2 Gas Flux and Fugacity Model (See Section 6.2) DTN: GS930508312271.021. Analysis of Gaseous-Phase Stable and Radioactive Isotopes in the Unsaturated Zone, Yucca Mountain, Nevada. Submittal date: 04/30/1993. DTN: GS940708312261.005. Carbon Dioxide, Methane, Carbon 13/12, and Oxygen 18/16 Results from USW UZ-6, USW UZ-6S, USW UZ-N27, USW UZ-N62, USW UZ-N64, USW UZ-N75, USW UZ-N93, USW UZ-N94, USW UZ-N95, UE-25 NRG#2B, UE-25 NRG#4, UE- 25 NRG#5, and USW NRG-6. Submittal date: 07/25/1994. DTN: GS941208312261.008. Carbon Dioxide, Methane, Carbon 14, and Carbon 13/12 Data from USW NRG-6 and USW NRG-7 for May and June 1994; and Carbon 14 Data from USW Wells NRG#5, UZ-6S, UZ-N27, UZ-N62, UZ-N64, UZ-N93, UZ-N94, and UZ-N95 from March 1994. Submittal date: 12/16/1994. DTN: GS950808312261.004. Carbon 14 Results from Gas Samples Collected in February and March 1995. Submittal date: 08/29/1995. ANL-EBS-MD-000033, REV 00 ICN 1 240 July 2000 DTN: GS960208312261.002. Carbon-14 Results from Gas Samples Collected; Carbon Dioxide, Carbon 13/12, Oxygen 18/16, and Carbon-14 Results from Gas Samples Collected; and Carbon Dioxide, Methane, Carbon 13/12 and Oxygen 18/16 Results from Gas Samples Collected. Submittal date: 02/16/1996. DTN: GS961108312271.002. Chemical and Isotopic Composition of Pore Water and Pore Gas, 1994–96, from Boreholes USW UZ-1, USW UZ-14, UE-25 UZ#16, USW NRG-6, USW NRG- 7A, USW SD-7, USW SD-9, ESF-AL#3-RBT#1, and ESF-AL#3-RBT#4, and ESF Rubble. Submittal date: 12/04/1996. DTN: GS970283122410.002. Gas and Water Chemistry Data from Samples Collected at Boreholes UE-25 NRG#5 and USW SD-7 on Yucca Mountain, Alcove 5, and Borehole ESFNAD- GTB#1A in Alcove 6, ESF, between 8-11-96 and 1-14-97. Submittal date: 02/21/1997. DTN: GS970908312271.003. Unsaturated Zone Hydrochemistry Data, 2-1-97 to 8-31-97, Including Chemical Composition and Carbon, Oxygen, and Hydrogen Isotopic Composition: Porewater from USW NRG-7A, SD-7, SD-9, SD-12 and UZ-14; and Gas from USW UZ-14. Submittal date: 09/08/1997. DTN: MO9811MWDGFM03.000. Input Data to Geologic Framework Model GFM3.0. Submittal date: 11/30/1998. DTN: LB990861233129.001. Drift Scale Calibrated 1-D Property Set, FY99. Submittal date: 08/06/1999. MO0005PORWATER.000. Perm-Sample Pore Water Data. Submittal date: 05/04/2000. Submit to RPC URN-470. DTN: LL980711104242.054. Report of the Committee to Review the Use of J-13 Well Water in Nevada Nuclear Waste Storage Investigations. Submittal date: 08/05/1998. 8.3.3 Cementitious Materials Model (See Section 6.3) DTN: LL980711104242.054. Report of the Committee to Review the Use of J-13 Well Water in Nevada Nuclear Waste Storage Investigations. Submittal date: 08/05/1998. DTN: GS961108312271.002. Chemical and Isotopic Composition of Pore Water and Pore Gas, 1994–96, from Boreholes USW UZ-1, USW UZ-14, UE-25 UZ#16, USW NRG-6, USW NRG- 7A, USW SD-7, USW SD-9, ESF-AL#3-RBT#1, and ESF-AL#3-RBT#4, and ESF Rubble. Submittal date: 12/04/1996. DTN: GS970908312271.003. Unsaturated Zone Hydrochemistry Data, 2-1-97 to 8-31-97, Including Chemical Composition and Carbon, Oxygen, and Hydrogen Isotopic Composition: Porewater from USW NRG-7A, SD-7, SD-9, SD-12 and UZ-14; and Gas from USW UZ-14. Submittal date: 09/08/1997. ANL-EBS-MD-000033, REV 00 ICN 1 241 July 2000 8.3.4 Microbial Effects Model (See Section 6.4) DTN: LL980711104242.054. Report of the Committee to Review the Use of J-13 Well Water in Nevada Nuclear Waste Storage Investigations. Submittal date: 08/05/1998. DTN: LL991203505924.094. Approach and Supporting Data for MIC Modeling. Submittal date: 12/13/1999. 8.3.5 Normative Precipitates and Salts Model ( See Section 6.5) DTN: LL980711104242.054. Report of the Committee to Review the Use of J-13 Well Water in Nevada Nuclear Waste Storage Investigations. Submittal date: 08/05/1998. LL991008004241.041. Evaporation of Topopah Spring Tuff Pore Water. Submittal date: 10/21/1999. DTN: LL991008104241.042. Evaporation of J13 Water: Laboratory Experiments and Geochemical Modeling. Submittal date: 10/21/1999. Submit to RPC URN-0269 DTN: MO9912EBSPWR28.001. Particle Size Data, Water Retention Data, and Hydraulic Conductivity Data for Overton Sand Used in the Water Diversion Model AMR (ANL-EBS-MS- 000028 REV 00). Submittal date: 12/02/1999. 8.3.6 EBS Colloids Model (See Section 6.6) DTN: LA0002SK831352.001. Total Collidal Particles Concentration And Size Distribution In Groundwaters From The Nye County Early Warning Drilling Program. Submittal date: 02/02/2000. DTN: LA0002SK831352.002. Total Colloidal Particles Concentration And Size Distribution In Groundwaters Around Yucca Mountain. Submittal date: 02/25/2000. DTN: LA0003NL831352.002. The KD Values of 239PU on Colloids of Hematite, Ca- Montmorillonite and Silica in Natural and Synthetic Groundwater. Submittal date: 03/29/2000. DTN: LA0005NL831352.001. The KD Values of 243AM on Colloids of Hematite, Montmorillonite and Silica in Natural and Synthetic Groundwater. Submittal date: 05/03/2000. URN-0293. DTN: LB991200DSTTHC.001. Pore Water Composition And Co2 Partial Pressure Input To Thermal-Hydrological-Chemical (Thc) Simulations: Table 3 Of Amr N0120/U0110, "Drift-Scale Coupled Processes (Drift-Scale Test And Thc Seepage) Models. Submittal date: 03/11/2000. ANL-EBS-MD-000033, REV 00 ICN 1 242 July 2000 8.3.7 Chemical Reference Model (See Section 6.7) No input data from the Technical Database Management System were used in Section 6.7. 8.4 SOFTWARE SOURCES Lawrence Livermore National Laboratory. 1999. Software Code: NUFT V3.0s. V3.0s. STN: 10088-3.0s-00. Lawrence Livermore National Laboratory. 2000. Software Routine: CONVERTCOORDS V1.1. V1.1. STN: 10209-1.1-00. Lawrence Livermore National Laboratory. 2000. Software Routine: YMESH V1.53. V1.53. STN: 10172-1.53-00. Lawrence Livermore National Laboratory. 2000. Software Routine: XTOOL V10.1. V10.1. STN: 10208-10.1-00. CRWMS M&O. 1999. Software Code: PHREEQC. V2.0. STN: 10068-2.0-00. CRWMS M&O. 1998. Software Code: EQ3/6. V7.2b. STN: LLNL:UCRL-MA-110662. ANL-EBS-MD-000033 REV 00 ICN 1 I-1 July 2000 ATTACHMENT I LISTS OF ELECTRONIC FILES USED FOR EBS PHYSICAL AND CHEMICAL ENVIRONMENT MODEL DEVELOPMENT AND IMPLEMENTATION This Attachment contains a listing of the electronic files which are submitted as CD-ROM with the Engineered Barrier System Physical and Chemical Environment Analysis/Model Report. The listing is organized according to the directory tree structure of the electronic submittal. Each folder (and sub-folder) in the directory is listed in boldface, and the files contained there are listed below it. Cement Archive/PHREEQC input files grout301.txt grout302.txt grout303.txt grout501.txt grout502.txt grout503.txt grout51.txt grout51e.txt grout701.txt grout702.txt grout703.txt grout79.txt grout79e.txt grout88.txt grout90.txt grout901.txt grout902.txt grout903.txt wateqcem.txt Cement Archive/ PHREEQC output files grout301.out grout302.out grout303.out grout501.out grout502.out grout503.out grout51.out grout51e.out grout701.out grout702.out grout703.out grout79.out grout79e.out grout88.out ANL-EBS-MD-000033 REV 00 ICN 1 I-2 July 2000 grout90.out grout901.out grout902.out grout903.out Chem.Sys. Archive/Chem.Sys. spreadsheets CO2balanceV1.2.xls OvertonSandAreaV1.2.xls Chem.Sys. Archive/EQ36 input and output Data0.com Data0.elh Data0.sup Filelist.txt Chem.Sys. Archive/EQ36 input and output/_zone0 Z0-1.3i z0-1.3o z0-1.3p Z0-2.3i z0-2.3o z0-2.3p Z0-3.3i z0-3.3o z0-3.3p Z0-4.3i z0-4.3o z0-4.3p Z0-5.3i z0-5.3o z0-5.3p Chem.Sys. Archive/EQ36 input and output/_zone12 Z1-1.3i z1-1.3o z1-1.3p Z1-2.3i z1-2.3o z1-2.3p Z1-3.3i z1-3.3o z1-3.3p Z1-4.3i z1-4.3o z1-4.3p Z1-5.3i ANL-EBS-MD-000033 REV 00 ICN 1 I-3 July 2000 z1-5.3o z1-5.3p Chem.Sys. Archive/EQ36 input and output/_zone34 Z3-3a-ka.6i z3-3a-ka.6o z3-3a-ka.6p z3-3a-ka.6t Z3-3a-qt.6i z3-3a-qt.6o z3-3a-qt.6p z3-3a-qt.6t Z3-3a-xx.6i z3-3a-xx.6o z3-3a-xx.6p z3-3a-xx.6t Z3-3b-qt.6i z3-3b-qt.6o z3-3b-qt.6p z3-3b-qt.6t Z3-4-qt.6i z3-4-qt.6o z3-4-qt.6p z3-4-qt.6t Z3-5-qt.6i z3-5-qt.6o z3-5-qt.6p z3-5-qt.6t Chem.Sys. Archive/EQ36 input and output/ _zone56 Z5-4a-qt.6i z5-4a-qt.6o z5-4a-qt.6p z5-4a-qt.6t Z5-4b-qt.6i z5-4b-qt.6o z5-4b-qt.6p z5-4b-qt.6t Z5-4-in.3i z5-4-in.3o z5-4-in.3p Z5-5-in.3i z5-5-in.3o z5-5-in.3p Z5-5-qt.6i z5-5-qt.6o ANL-EBS-MD-000033 REV 00 ICN 1 I-4 July 2000 z5-5-qt.6p z5-5-qt.6t Chem.Sys. Archive/reformatted EQ36 output/ old model (Rev. 00A) Rev00Awater34_3A_qtz.xls Rev00Awater34_3B_qtz.xls Rev00Awater34_4_qtz.xls Rev00Awater34_5_qtz.xls Rev00Awater56_4A_qtz.xls Rev00Awater56_4B_qtz.xls Rev00Awater56_5_qtz.xls Rev00AWaterChemPlot.xls Rev00AZone1-2water.xls CO2_budget_a1.xls CO2_budget_b1.xls water_0_thgm4A.xls water34_3A_qtz.xls water34_3B_qtz.xls water34_4_qtz.xls water34_5_qtz.xls water56_4A_qtz.xls water56_4B_qtz.xls water56_5_qtz.xls Zone1-2water.xls _ebsc2.zip CO2 Archive gasC14-NRG-5-1996dataV1.2.xls gasC14-SD-12-1996dataV1.2.xls gasC14-SD-7-1996dataV1.2.xls gasC14-UZ-1-1985dataV1.2.xls gasC14-UZ-6-1995dataV1.2.xls Colloids Archive GWcolloidsV1.2.xls P&S Archive/ normative spreadsheets normative_hiCO2_l4c4_ui-zone34-500V1.2.xls normative_hiCO2_l4c4_ui-zone56-1000V1.2.xls normative_hiCO2_SPW_V1.2.xls normative_hiCO2_synJ13_V1.2.xls normative_hiCO2_testcase34.xls normative_hiCO2_testcase56.xls TH Archive/ myplot routine/ myplot output l4c1-LDTH36-1Dds_mc-li-flux.exl ANL-EBS-MD-000033 REV 00 ICN 1 I-5 July 2000 l4c1-LDTH36-1Dds_mc-ui-flux.exl l4c4-LDTH60-1Dds_mc-li-flux.exl l4c4-LDTH60-1Dds_mc-ui-flux.exl TH Archive/myplot routine/source flux_files_readme myplot.m.txt TH Archive/Nuft/3-14 transmittal from NEPO/ LB99EBS1233129.001/ Stratigraphy Mpa_pch1.v1 UZ99_3.grd UZ99_3_3D.mesh TH Archive/Nuft/3-14 transmittal from NEPO/ LB99EBS1233129.002/ Initial Saturation/ Glacial Infiltration SAVE.pa_glaL1.dat SAVE.pa_glaL2.dat SAVE.pa_glam1.dat SAVE.pa_glam2.dat SAVE.pa_glau1.dat SAVE.pa_glau2.dat TH Archive, Nuft/3-14 transmittal from NEPO/ LB99EBS1233129.002/ Initial Saturation/ Monsoon Infiltration SAVE.pa_monL1.dat SAVE.pa_monL2.dat SAVE.pa_monm1.dat SAVE.pa_monm2.dat SAVE.pa_monu1.dat SAVE.pa_monu2.dat TH Archive/Nuft/3-14 transmittal from NEPO/ LB99EBS1233129.002/ Initial Saturation/ Present Day Infiltration SAVE.pa_pchL1.dat SAVE.pa_pchL2.dat SAVE.pa_pchm1.dat SAVE.pa_pchm2.dat SAVE.pa_pchu1.dat SAVE.pa_pchu2.dat TH Archive/Nuft/3-14 transmittal from NEPO /LB99EBS1233129.003/ Temp_Pres bcs_99.dat UZ99_3-14Files.doc ANL-EBS-MD-000033 REV 00 ICN 1 I-6 July 2000 TH Archive/Nuft/3-14 transmittal from NEPO /LB99EBS1233129.004/ Infiltration Flux/ Glacial Infiltration pa_glaL1.dat pa_glam1.dat pa_glau1.dat TH Archive/Nuft/3-14 transmittal from NEPO /LB99EBS1233129.004/ Infiltration Flux/ Monsoon Infiltration pa_monL1.dat pa_monm1.dat pa_monu1.dat TH Archive/Nuft/3-14 transmittal from NEPO /LB99EBS1233129.004/ Infiltration Flux /Present Day Infiltration pa_pchL1.dat pa_pchm1.dat pa_pchu1.dat TH Archive/Nuft /Chim_surf & Chim_wt files/input files bcs_99.dat bcs_99_testcase.txt chim_test column.data column_testcase.data.txt TH Archive/Nuft/Chim_surf & Chim_wt files/output files chim_out outpt outpt_wt TH Archive/Nuft/Chim_surf & Chim_wt files/source chim_surf_bc_tst.f chim_surf_TP.f chim_wt_TP.f chim_surf_TP TH Archive/Nuft/Columninfiltration files/ input files column.data columninfiltration_tst.dat columninfiltration_tst.NV TH Archive/Nuft/Columninfiltration files/output files columninfiltration_tst.out Glaciall.out Glacialm.out Glacialu.out ANL-EBS-MD-000033 REV 00 ICN 1 I-7 July 2000 Monsoonl.out Monsoonm.out Monsoonu.out yml.out ymm.out ymu.out TH Archive/Nuft/Columninfiltration files/source columnInfiltration.c th28dir TH Archive/Nuft/Convertcoords files/ input files Glaciall.inf Glacialm.inf Glacialu.inf Monsoonl.inf Monsoonm.inf Monsoonu.inf yml.inf ymm.inf ymu.inf TH Archive/Nuft/Convertcoords files/output files Glaciall.NV Glacialm.NV Glacialu.NV Monsoonl.NV Monsoonm.NV Monsoonu.NV yml.NV ymm.NV ymu.NV TH Archive/Nuft/Cover files cover.m dft1.dat shape1.dat TH Archive/Nuft/infiltration spreadsheet infiltration.xls TH Archive/Nuft/ NUFT input files/ l4c1-lower l4c1.nft l4c1_col.units l4c1_nft_msh.dkm ANL-EBS-MD-000033 REV 00 ICN 1 I-8 July 2000 l4c1_nft_msh.dkm0 l4c1_nft_msh_dkm.f l4c1_nft_msh_dkm.m l4c1_nft_msh_dkm0.f l4c1_nft_msh_dkm0.m l4c1-LDTH36-1Dds_li-00-i.in l4c1-LDTH36-1Dds_mc-li-01.in l4c1-LDTH36-1Dds_mc-li-01v.in l4c1-LDTH60-1Dds_mc-mi-01.out TH Archive/Nuft/ NUFT input files/ l4c1-upper l4c1.nft l4c1_col.units l4c1_nft_msh.dkm l4c1_nft_msh.dkm0 l4c1_nft_msh_dkm.f l4c1_nft_msh_dkm.m l4c1_nft_msh_dkm0.f l4c1_nft_msh_dkm0.m l4c1-LDTH36-1Dds_mc-ui-01.in l4c1-LDTH36-1Dds_mc-ui-01v.in l4c1-LDTH36-1Dds_ui-00-i.in l4c1-LDTH60-1Dds_mc-mi-01.out TH Archive/Nuft/ NUFT input files/l4c4-lower l4c4.col l4c4.nft l4c4_nft_msh.dkm l4c4_nft_msh.dkm0 l4c4_nft_msh_dkm.f l4c4_nft_msh_dkm.m l4c4_nft_msh_dkm0.f l4c4_nft_msh_dkm0.m l4c4-LDTH60-1Dds_li-00-i.in l4c4-LDTH60-1Dds_mc-li-01.in l4c4-LDTH60-1Dds_mc-li-01v.in TH Archive/Nuft/NUFT input files/l4c4-upper l4c4.col l4c4.nft l4c4_nft_msh.dkm l4c4_nft_msh.dkm0 l4c4_nft_msh_dkm.f l4c4_nft_msh_dkm.m l4c4_nft_msh_dkm0.f l4c4_nft_msh_dkm0.m ANL-EBS-MD-000033 REV 00 ICN 1 I-9 July 2000 l4c4-LDTH60-1Dds_mc-ui-01.in l4c4-LDTH60-1Dds_mc-ui-01v.in l4c4-LDTH60-1Dds_ui-00-i.in TH Archive/Nuft/NUFT input files dkm_afc-ds-NBS-l_inf dkm_afc-ds-NBS-m_inf dkm_afc-ds-NBS-u_inf dkm-afc-1Dds-mc-li-00 dkm-afc-1Dds-mc-ui-00 dkm-afc-EBS_Rev10 dkm-afc-pbf-EBS_Rev00 dkm-afc-pbf-EBS_Rev10 LDTH-SDT-0.3Qheat-1e6y_vent-00v LDTH-SDT-0.3Qheat-50y_vent-00 modprop_dr-up-00v output.times-00v outputtime run_control_param_LDTH-v00 run_control_param_LDTH-v01 vtough.pkg TH Archive/Nuft /NUFT output files/ l4c1-lower l4c1-LDTH36-1Dds_mc-li-00-i.res l4c1-LDTH36-1Dds_mc-li-01.f.ext l4c1-LDTH36-1Dds_mc-li-01.Gflux_0_1.dat l4c1-LDTH36-1Dds_mc-li-01.Gflux_1_2.dat l4c1-LDTH36-1Dds_mc-li-01.Gflux_2_3.dat l4c1-LDTH36-1Dds_mc-li-01.Gflux_3_4.dat l4c1-LDTH36-1Dds_mc-li-01.Gflux_3_5.dat l4c1-LDTH36-1Dds_mc-li-01.Gflux_4_5.dat l4c1-LDTH36-1Dds_mc-li-01.Gflux_5_6.dat l4c1-LDTH36-1Dds_mc-li-01.Lflux_0_1.dat l4c1-LDTH36-1Dds_mc-li-01.Lflux_1_2.dat l4c1-LDTH36-1Dds_mc-li-01.Lflux_2_3.dat l4c1-LDTH36-1Dds_mc-li-01.Lflux_3_4.dat l4c1-LDTH36-1Dds_mc-li-01.Lflux_3_5.dat l4c1-LDTH36-1Dds_mc-li-01.Lflux_4_5.dat l4c1-LDTH36-1Dds_mc-li-01.Lflux_5_6.dat l4c1-LDTH36-1Dds_mc-li-01.m.ext l4c1-LDTH36-1Dds_mc-li-01v.f.EBS.ext l4c1-LDTH36-1Dds_mc-li-01v.m.EBS.ext l4c1-LDTH36-1Dds_mc-li-01v-a.res TH Archive/Nuft /NUFT output files/ l4c1-upper l4c1-LDTH36-1Dds_mc-ui-00-i.res ANL-EBS-MD-000033 REV 00 ICN 1 I-10 July 2000 l4c1-LDTH36-1Dds_mc-ui-01.f.ext l4c1-LDTH36-1Dds_mc-ui-01.Gflux_0_1.dat l4c1-LDTH36-1Dds_mc-ui-01.Gflux_1_2.dat l4c1-LDTH36-1Dds_mc-ui-01.Gflux_2_3.dat l4c1-LDTH36-1Dds_mc-ui-01.Gflux_3_4.dat l4c1-LDTH36-1Dds_mc-ui-01.Gflux_3_5.dat l4c1-LDTH36-1Dds_mc-ui-01.Gflux_4_5.dat l4c1-LDTH36-1Dds_mc-ui-01.Gflux_5_6.dat l4c1-LDTH36-1Dds_mc-ui-01.Lflux_0_1.dat l4c1-LDTH36-1Dds_mc-ui-01.Lflux_1_2.dat l4c1-LDTH36-1Dds_mc-ui-01.Lflux_2_3.dat l4c1-LDTH36-1Dds_mc-ui-01.Lflux_3_4.dat l4c1-LDTH36-1Dds_mc-ui-01.Lflux_3_5.dat l4c1-LDTH36-1Dds_mc-ui-01.Lflux_4_5.dat l4c1-LDTH36-1Dds_mc-ui-01.Lflux_5_6.dat l4c1-LDTH36-1Dds_mc-ui-01.m.ext l4c1-LDTH36-1Dds_mc-ui-01v.f.EBS.ext l4c1-LDTH36-1Dds_mc-ui-01v.m.EBS.ext l4c1-LDTH36-1Dds_mc-ui-01v-a.res TH Archive/Nuft /NUFT output files/l4c4-lower l4c4-LDTH60-1Dds_mc-li-00-i.res l4c4-LDTH60-1Dds_mc-li-01.f.ext l4c4-LDTH60-1Dds_mc-li-01.Gflux_0_1.dat l4c4-LDTH60-1Dds_mc-li-01.Gflux_1_2.dat l4c4-LDTH60-1Dds_mc-li-01.Gflux_2_3.dat l4c4-LDTH60-1Dds_mc-li-01.Gflux_3_4.dat l4c4-LDTH60-1Dds_mc-li-01.Gflux_3_5.dat l4c4-LDTH60-1Dds_mc-li-01.Gflux_4_5.dat l4c4-LDTH60-1Dds_mc-li-01.Gflux_5_6.dat l4c4-LDTH60-1Dds_mc-li-01.Lflux_0_1.dat l4c4-LDTH60-1Dds_mc-li-01.Lflux_1_2.dat l4c4-LDTH60-1Dds_mc-li-01.Lflux_2_3.dat l4c4-LDTH60-1Dds_mc-li-01.Lflux_3_4.dat l4c4-LDTH60-1Dds_mc-li-01.Lflux_3_5.dat l4c4-LDTH60-1Dds_mc-li-01.Lflux_4_5.dat l4c4-LDTH60-1Dds_mc-li-01.Lflux_5_6.dat l4c4-LDTH60-1Dds_mc-li-01.m.ext l4c4-LDTH60-1Dds_mc-li-01v.f.EBS.ext l4c4-LDTH60-1Dds_mc-li-01v.m.EBS.ext l4c4-LDTH60-1Dds_mc-li-01v-a.res TH Archive/Nuft /NUFT output files/l4c4-upper l4c4-LDTH60-1Dds_mc-ui-00-i.res l4c4-LDTH60-1Dds_mc-ui-01.f.ext l4c4-LDTH60-1Dds_mc-ui-01.Gflux_0_1.dat ANL-EBS-MD-000033 REV 00 ICN 1 I-11 July 2000 l4c4-LDTH60-1Dds_mc-ui-01.Gflux_1_2.dat l4c4-LDTH60-1Dds_mc-ui-01.Gflux_2_3.dat l4c4-LDTH60-1Dds_mc-ui-01.Gflux_3_4.dat l4c4-LDTH60-1Dds_mc-ui-01.Gflux_3_5.dat l4c4-LDTH60-1Dds_mc-ui-01.Gflux_4_5.dat l4c4-LDTH60-1Dds_mc-ui-01.Gflux_5_6.dat l4c4-LDTH60-1Dds_mc-ui-01.Lflux_0_1.dat l4c4-LDTH60-1Dds_mc-ui-01.Lflux_1_2.dat l4c4-LDTH60-1Dds_mc-ui-01.Lflux_2_3.dat l4c4-LDTH60-1Dds_mc-ui-01.Lflux_3_4.dat l4c4-LDTH60-1Dds_mc-ui-01.Lflux_3_5.dat l4c4-LDTH60-1Dds_mc-ui-01.Lflux_5_6.dat l4c4-LDTH60-1Dds_mc-ui-01.m.ext l4c4-LDTH60-1Dds_mc-ui-01v.f.EBS.ext l4c4-LDTH60-1Dds_mc-ui-01v.m.EBS.ext l4c4-LDTH60-1Dds_mc-ui-01v-a.res TH Archive/Nuft /rme6 files LBL99-YMESH rme6 rme6.c tspa99_primary_mesh UZ99_3.grd TH Archive/Nuft/YMESH files l4c1.dat l4c1_col.units l4c4.dat l4c4_col.units TH Archive/SoluteRK/reformatted SoluteRK output Fig12SRK-l4c4-ui.xls Fig13SRK-l4c4-li.xls Fig14SRK-l4c1-ui.xls Fig15SRK-l4c1-li.xls TH Archive/SoluteRK SoluteRKV1.2_1500-2500-l4c1-li.mcd SoluteRKV1.2_1500-2500-l4c1-ui.mcd SoluteRKV1.2_1500-2500-l4c4-li.mcd SoluteRKV1.2_1500-2500-l4c4-ui.mcd SoluteRKV1.2_2500-10000-l4c1-li.mcd SoluteRKV1.2_2500-10000-l4c1-ui.mcd SoluteRKV1.2_2500-10000-l4c4-li.mcd SoluteRKV1.2_2500-10000-l4c4-ui.mcd SoluteRKV1.2_300-700-l4c1-li.mcd ANL-EBS-MD-000033 REV 00 ICN 1 I-12 July 2000 SoluteRKV1.2_300-700-l4c1-ui.mcd SoluteRKV1.2_300-700-l4c4-li.mcd SoluteRKV1.2_300-700-l4c4-ui.mcd SoluteRKV1.2_50-300-l4c1-li.mcd SoluteRKV1.2_50-300-l4c1-ui.mcd SoluteRKV1.2_50-300-l4c4-li.mcd SoluteRKV1.2_50-300-l4c4-ui.mcd SoluteRKV1.2_700-1500-l4c1-li.mcd SoluteRKV1.2_700-1500-l4c1-ui.mcd SoluteRKV1.2_700-1500-l4c4-li.mcd SoluteRKV1.2_700-1500-l4c4-ui.mcd TH Archive/TH figures fig11.eps 1 fig11.ps fig5.eps 1 fig5.ps fig9.eps 1 fig9.ps region.eps region.ps TH Fig 1.doc TH Fig 1.eps TH Fig 1.wmf TH Fig 10.xls TH Fig 12.xls TH Fig 13.xls TH Fig 14.xls TH Fig 15.xls TH Fig 4.xls TH Fig 6.xls TH Fig 7.xls TH Fig 8.xls TH Fig 9.doc THFig2.doc THFig2.eps THFig3.doc TH Archive/th+gas spreadsheets RHspec.xls th+gas_model-l4c1-li-04.xls th+gas_model-l4c1-ui-04.xls th+gas_model-l4c4-li-04.xls th+gas_model-l4c4-ui-04.xls ANL-EBS-MD-000033 REV 00 ICN 1 I-13 July 2000 TH Archive/vfluxprof routine/ source vfluxprof.txt TH Archive/vfluxprof routine/vfluxprof output l4c1-LDTH36-1Dds_mc-li-01.f.ext.q.gas.vflux l4c1-LDTH36-1Dds_mc-ui-01.f.ext.q.gas.vflux l4c4-LDTH60-1Dds_mc-li-01.f.ext.q.gas.vflux l4c4-LDTH60-1Dds_mc-ui-01.f.ext.q.gas.vflux TH Archive/zoneavg routine/ source zoneavg.txt TH Archive/zoneavg output/l4c1-lower l4c1-LDTH36-1Dds_mc-li-01.f.ext.zavg l4c1-LDTH36-1Dds_mc-li-01.m.ext.zavg TH Archive/zoneavg output/l4c1-upper l4c1-LDTH36-1Dds_mc-ui-01.f.ext.zavg l4c1-LDTH36-1Dds_mc-ui-01.m.ext.zavg TH Archive/zoneavg output/l4c4-lower l4c4-LDTH60-1Dds_mc-li-01.f.ext.zavg l4c4-LDTH60-1Dds_mc-li-01.m.ext.zavg TH Archive/zoneavg output/l4c4-upper l4c4-LDTH60-1Dds_mc-ui-01.f.ext.zavg l4c4-LDTH60-1Dds_mc-ui-01.m.ext.zavg (end of listing) ANL-EBS-MD-000033 REV 00 ICN 1 II-1 July 2000 ATTACHMENT II SOFTWARE ROUTINE DOCUMENTATION FOR NUFT PRE-PROCESSORS: RME6 V1.1 ROUTINE IDENTIFICATION Rme6 v1.1. This routine was compiled using C++ vSC4.2. The source code for this routine is rme6.c (Attachment I). ROUTINE PURPOSE AND VALIDATION The purpose of this routine is to reformat and combine the files tspa99_primary_mesh and UZ99_3.grd (Attachment I) into a single file, LBL99-YMESH which YMESH V1.53 reads as “world view” data. To demonstrate that rme6 performed in the correct manner, it was necessary to inspect a few lines from sections of the two input files and the output file to see that key information had been transferred correctly. The first several lines of the element and connectivity sections of tspa99_primary_mesh were extracted to files “elem10” and “conn10” and read into Microsoft Excel 97 in order to enhance their readability for this document. The first several lines of the UZ99_3.grd were extracted into a file “vert9,” manually joined in groups of three consecutive ones (as the data will be joined later), and read into Excel in order to make them comprehensible in this document. The resulting three tables of input data are shown below. tspa99_primary_mesh: ELEME 1Aa 1 tcw11 2.332E+05 169398.601 236623.643 1626.0963 12a 1 tcw12 3.244E+06 169398.601 236623.643 1606.4657 1Ba 1 tcw12 3.244E+06 169398.601 236623.643 1569.837 21a 1 ptn21 6.724E+05 169398.601 236623.643 1547.7263 22a 1 ptn22 1.502E+06 169398.601 236623.643 1535.4527 23a 1 ptn23 1.238E+06 169398.601 236623.643 1519.984 24a 1 ptn24 2.919E+06 169398.601 236623.643 1496.5161 25a 1 ptn25 2.684E+06 169398.601 236623.643 1464.887 2Ca 1 ptn25 2.684E+06 169398.601 236623.643 1434.5821 CONNE 22a 1 21a 1 3 8.4773E+00 3.7963E+00 8.8566E+04 -1E+00 1.69E+05 2.37E+05 1.54E+03 21a 1 1Ba 1 3 3.7963E+00 1.8314E+01 8.8566E+04 -1E+00 1.69E+05 2.37E+05 1.55E+03 1Ba 1 12a 1 3 1.8314E+01 1.8314E+01 8.8566E+04 -1E+00 1.69E+05 2.37E+05 1.59E+03 12a 1 1Aa 1 3 1.8314E+01 1.3163E+00 8.8566E+04 -1E+00 1.69E+05 2.37E+05 1.62E+03 23a 1 22a 1 3 6.9915E+00 8.4773E+00 8.8566E+04 -1E+00 1.69E+05 2.37E+05 1.53E+03 24a 1 23a 1 3 1.6477E+01 6.9915E+00 8.8566E+04 -1E+00 1.69E+05 2.37E+05 1.51E+03 25a 1 24a 1 3 1.5152E+01 1.6477E+01 8.8566E+04 -1E+00 1.69E+05 2.37E+05 1.48E+03 2Ca 1 25a 1 3 1.5152E+01 1.5152E+01 8.8566E+04 -1E+00 1.69E+05 2.37E+05 1.45E+03 26a 1 2Ca 1 3 6.0487E+00 1.5152E+01 8.8566E+04 -1E+00 1.69E+05 2.37E+05 1.42E+03 ANL-EBS-MD-000033 REV 00 ICN 1 II-2 July 2000 UZ99_g.grd: 169251.917 236795.473 169201.033 236473.209 0 a 1 B-1 169201.033 236473.209 169428.63 236411.341 0 a 1 b14 169428.63 236411.341 169501.175 236823.139 0 a 1 b 2 169501.175 236823.139 169251.917 236795.473 0 a 1 a31 172943.786 230984.566 172730.132 231087.475 0 a 2 b33 172730.132 231087.475 172487.977 231043.026 0 a 2 a94 172487.977 231043.026 172606.485 230777.016 0 a 2 b30 172606.485 230777.016 172683.106 230740.154 0 a 2 b99 172683.106 230740.154 172829.738 230784.794 0 a 2 c 0 The first several lines of each section of output file LBL99-YMESH are shown below as written. LBL99-YMESH: $elc % 1Aa_1 tcw11 2.332000e+05 1.693986e+05 2.366236e+05 1.626096e+03 % 12a_1 tcw12 3.244000e+06 1.693986e+05 2.366236e+05 1.606466e+03 % 1Ba_1 tcw12 3.244000e+06 1.693986e+05 2.366236e+05 1.569837e+03 % 21a_1 ptn21 6.724000e+05 1.693986e+05 2.366236e+05 1.547726e+03 % 22a_1 ptn22 1.502000e+06 1.693986e+05 2.366236e+05 1.535453e+03 % 23a_1 ptn23 1.238000e+06 1.693986e+05 2.366236e+05 1.519984e+03 % 24a_1 ptn24 2.919000e+06 1.693986e+05 2.366236e+05 1.496516e+03 % 25a_1 ptn25 2.684000e+06 1.693986e+05 2.366236e+05 1.464887e+03 % 2Ca_1 ptn25 2.684000e+06 1.693986e+05 2.366236e+05 1.434582e+03 $con % 22a_1 21a_1 3 8.477300e+00 3.796300e+00 8.856600e+04 -1.000000e+00 % 21a_1 1Ba_1 3 3.796300e+00 1.831400e+01 8.856600e+04 -1.000000e+00 % 1Ba_1 12a_1 3 1.831400e+01 1.831400e+01 8.856600e+04 -1.000000e+00 % 12a_1 1Aa_1 3 1.831400e+01 1.316300e+00 8.856600e+04 -1.000000e+00 % 23a_1 22a_1 3 6.991500e+00 8.477300e+00 8.856600e+04 -1.000000e+00 % 24a_1 23a_1 3 1.647700e+01 6.991500e+00 8.856600e+04 -1.000000e+00 % 25a_1 24a_1 3 1.515200e+01 1.647700e+01 8.856600e+04 -1.000000e+00 % 2Ca_1 25a_1 3 1.515200e+01 1.515200e+01 8.856600e+04 -1.000000e+00 % 26a_1 2Ca_1 3 6.048700e+00 1.515200e+01 8.856600e+04 -1.000000e+00 $vertices 169251.92 236795.47 169201.03 236473.21 0.00 3601 1* 169201.03 236473.21 169428.63 236411.34 0.00 3601 3714 169428.63 236411.34 169501.17 236823.14 0.00 3601 3702 169501.17 236823.14 169251.92 236795.47 0.00 3601 3631 172943.79 230984.57 172730.13 231087.48 0.00 3602 3733 172730.13 231087.48 172487.98 231043.03 0.00 3602 3694 172487.98 231043.03 172606.48 230777.02 0.00 3602 3730 172606.48 230777.02 172683.11 230740.15 0.00 3602 3799 172683.11 230740.15 172829.74 230784.79 0.00 3602 3800 By visual inspection it was clear that all the information from the ELEME section of tspa99_primary_mesh was entered unchanged into the $elc section of LBL99-YMESH ANL-EBS-MD-000033 REV 00 ICN 1 II-3 July 2000 except the blank character in the middle of element names, like “22a 1,” had been replaced by an underscore. Also, by inspection, it was clear that the first seven fields of information from the CONNE section of tspa99_primary_mesh had been transferred to the $con section of LBL99-YMESH without major change except for the blank-to-underscore change in element names. The last 3 columns of CONNE information were eliminated because they were not needed in the output file. Finally, by inspection it was observed that the (x,y) edge vertex coordinates and succeeding zero value from UZ99_3.grid were not modified in transfer to the $vertices section of LBL99-YMESH, but the names of the two columns separated by the edge, such as “a 1” and “B-1” in the first row of $vertices, had been converted to integers as required by YMESH. YMESH was able to read LBL99-YMESH as input and to draw an image of the mesh which was in agreement with other pictures of Yucca Mountain coring meshes. Therefore, it was concluded that rme6 was performing the task of converting data format for the range of parameters in files tspa99_primary_mesh and UZ99_3.grd in the expected manner to a correct YMESH world view. ANL-EBS-MD-000033 REV 00 ICN 1 III-1 July 2000 ATTACHMENT III SOFTWARE ROUTINE DOCUMENTATION FOR NUFT PRE-PROCESSORS: COVER V1.1 ROUTINE IDENTIFICATION This attachment describes the issue of routine: COVER V1.1. This routine was developed using MATLAB V. 5.2.0.3084 for Sun. COVER was run on a Sun Ultra 2 workstation with SunOS 5.5.1 operating system. The source code for this routine is “cover.m” (Attachment I). ROUTINE PURPOSE AND VALIDATION The purpose of this routine is to develop a block model of the repository from information contained in the input file: “dft1.dat” (Attachment I) which is listed in Table III-2. The output of this routine contains the edges of the block model in the file “shape1.dat” (Attachment I), which is listed in Table III-1. The resulting repository block model is intended to have a similar area to the original layout. The block model is used to develop infiltration rates over the repository footprint. RANGE OF VALIDATION This routine is limited to developing a block model from information in the file: “shape1.dat” (Attachment I). Validation is achieved by verifying that the objective of the code (i.e., similar footprint area) was achieved. The area outlined in “dft1.dat” (Attachment I) is calculated and compared to the area contained in the block model (“shape1.dat”). Table III-1. Area of Repository Block Model Easting Northing Equation III-1 171368.06 235822.06 4303909 170422.51 235872.29 -121804376 170343.91 234392.62 -125402076 170205.80 234399.95 -195258392 170083.53 232098.24 -196365687 170221.63 232090.90 -28610852 170204.16 231762.08 -32257943 171149.71 231711.85 347432200 171368.06 235822.06 352179357 Total area: 4216139 APPROACH The exact area of a solid by coordinates is found by the following equation: )] ( ) ( ) ( [ 2 1 ) 1 ( 1 ) ( 1 3 2 ) ( 2 1 - - + + - + - × = n y y x y y x y y x Area n n K (Eq. III-1) where Area = area enclosed by coordinates x = x coordinate y = y coordinate ANL-EBS-MD-000033 REV 00 ICN 1 III-2 July 2000 n = last point of figure Source: (Hartman 1992, p. A-37) The routine is verified by finding the area of the repository using Equation III-1. The routine predicted an area of 4,216,139 ft2 (see Table III-1), and the actual area is 4,310,041 ft2 (see Table III-2). This is an error of less than three percent which is acceptable for the thermalhydrologic modeling application. Therefore, cover provides the correct results over the range of input parameters in the input file dft1.dat. This documents the accuracy of this routine, and the routine is therefore valid for its intended use. ANL-EBS-MD-000033 REV 00 ICN 1 III-3 July 2000 Table III-2. Actual Area of Repository in Square Feet The table is listed in Page III-4. ANL-EBS-MD-000033 REV 00 ICN 1 III-4 July 2000 Northing Easting Northing Easting East pts West pts 235997.80 170544.61 235732.05 171362.51 19825810.91 26327279.22 235964.55 170515.90 235690.53 171359.24 -8505333.09 10680821.43 235898.04 170458.47 235607.39 171353.01 -12019879 14298551.92 235823.52 170425.70 235523.64 171348.62 -13295761 14349590.18 235742.01 170414.44 235439.90 171344.23 -14059191.3 14348365.82 235658.52 170409.28 235356.16 171339.84 -14227470.8 14347998.2 235575.03 170404.11 235272.42 171335.46 -14227039.1 14348488.1 235491.54 170398.95 235188.67 171331.07 -14226608.3 14348120.46 235408.05 170393.78 235104.93 171326.68 -14226176.7 14346896.18 235324.56 170388.62 235021.19 171322.29 -14225745.9 14346528.56 235241.07 170383.45 234937.45 171317.90 -14238944.9 14347017.54 235157.42 170378.77 234853.70 171313.51 -14259851.2 14346649.89 235073.68 170374.38 234769.96 171309.12 -14267150.6 14345425.71 234989.94 170369.99 234686.22 171304.73 -14267634.8 14345058.09 234906.19 170365.60 234602.48 171300.35 -14267267.2 14345547.81 234822.45 170361.21 234518.73 171295.96 -14266047.7 14345180.17 234738.71 170356.83 234434.99 171291.57 -14265680.9 14343956.07 234654.97 170352.44 234351.25 171287.18 -14266165.1 14343588.45 234571.22 170348.05 234267.51 171282.79 -14120149.9 14344077.25 234489.19 170338.41 234183.76 171278.40 -13495060.5 14343709.61 234412.77 170311.48 234100.02 171274.01 -12918977.3 14342485.6 234337.48 170281.06 234016.28 171269.62 -12819609.6 14342117.98 234262.20 170250.64 233932.54 171265.24 -12817319.4 14342607.52 234186.91 170220.23 233848.79 171260.85 -12985250.2 14342239.88 234109.63 170195.95 233765.05 171256.46 -13568021.1 14341015.96 234027.47 170186.69 233681.31 171252.07 -13998706.2 14340648.34 233945.12 170178.03 233597.57 171247.68 -14015011.7 14341136.96 233862.76 170169.37 233513.82 171243.29 -14014298.5 14340769.32 233780.41 170160.72 233430.08 171238.90 -14013586.1 14339545.49 233698.05 170152.06 233346.34 171234.51 -14013723.7 14339177.87 233615.69 170143.41 233262.60 171230.13 -14012160.5 14339667.24 233533.34 170134.75 233178.85 171225.74 -14011447.3 14339299.6 233450.98 170126.10 233095.11 171221.35 -14010735 14338075.85 233368.63 170117.44 233011.37 171216.96 -14010021.8 14337708.23 233286.27 170108.78 232927.63 171212.57 -14010159.1 14338196.67 233203.91 170100.13 232843.88 171208.18 -14008596.2 14337829.03 233121.56 170091.47 232760.14 171203.79 -14007883 14336605.37 233039.20 170082.82 232676.40 171199.40 -14007170.6 14336237.76 232956.85 170074.16 232592.66 171195.02 -14006457.4 14335870.97 232874.49 170065.50 232508.92 171190.63 -14006594.6 14336359.31 232792.13 170056.85 232425.17 171186.24 -14317086.2 14335991.67 232706.11 170059.48 232341.43 171181.85 -14949078.6 14334768.12 232616.32 170073.70 232257.69 171177.46 -15270917.5 14334400.5 232526.53 170087.93 232173.95 171173.07 -15272195.2 14334888.75 232436.74 170102.15 232090.20 171168.68 -15273472 14334521.11 232346.95 170116.37 232006.46 171164.29 -15274748.9 14333297.64 232257.16 170130.59 231922.72 171159.91 -15276025.7 14332930.86 232167.37 170144.81 231838.98 171155.52 -15277302.5 14333419.02 232077.58 170159.03 231755.23 171151.13 -15277728.5 14333051.38 231987.80 170173.25 231671.49 171146.74 -15279005.3 14331828.01 231898.01 170187.47 231587.75 171142.35 -11461275.2 10748595.29 231853.11 170194.58 231545.88 171140.16 -29965308.7 -22706876.4 Total Area SUM: -709051221 713361261.6 4310040.8 from Equation III-1 East Boundary West Boundary ANL-EBS-MD-000033 REV 00 ICN 1 III-5 July 2000 Intentionally Left Blank ANL-EBS-MD-000033 REV 00 ICN 1 IV-1 July 2000 ATTACHMENT IV SOFTWARE ROUTINE DOCUMENTATION FOR NUFT PRE-PROCESSORS: COLUMNINFILTRATION V1.1 ROUTINE IDENTIFICATION This Attachment describes the issue of software routine: COLUMNINFILTRATION V1.1. This routine was developed and compiled using the C++ vSC4.2. COLUMNINFILTRATION was run on a Sun Ultra 2 workstation with SunOS 5.5.1 operating system. The source code for this routine is file “columninfiltration.c” (Attachment I). ROUTINE PURPOSE The purpose of this routine is to calculate the infiltration at a given location using a Gaussian interpolation method. GAUSSIAN WEIGHTING FUNCTION The Gaussian weighting function is: å = × = n 1 i i i W I I (Eq IV-1) where ú ú û ù ê ê ë é ÷ø ö çè æ - = 2 Scale D e W (Eq IV-2) and I = Interpolated infiltration Ii = Value at point i, d meters away Di = Plan distance between points. n = Number of points in data set W = Calculated weight assigned to each value (W=Wi) Scale = Effective radius of influence (Scale = 20ft) Source: (Isaaks and Srivastava 1989, p. 208) and (Kitanidis 1997, p. 54) The specific files used for this calculation are included in the electronic submittal described in Attachment I, and are follows: Glaciall.NV Glacialm.NV Glacialu.NV Monsoonl.NV Monsoonm.NV Monsoonu.NV yml.NV ymm.NV ymu.NV column.data ANL-EBS-MD-000033 REV 00 ICN 1 IV-2 July 2000 VALIDATION TEST CASE Documentation of the accuracy of this routine is in the form of a test case. The test case involves the interpolation of the infiltration rate at an arbitrary reference location (242000N, 168000E) given infiltration rates at five various points. The input files for the test case are “columninfiltration_tst.NV” and “columninfiltration_tst.dat” (Attachment I). The output file from this test case is “columninfiltration_tst.out” (Attachment I). The hand calculation that verifies the accuracy of the test case is in Table IV-1. The routine is determined to be valid for its intended use. Table IV-1. Calculation of Infiltration Using the Gaussian Method. Reference Northing: 242000 Reference Easting: 168000 Data Northing Easting Weight Infiltration Wi * Infiltraitoni 168192.021 242645.935 1.3001E-79 1.9472 2.5316E-79 168222.029 242645.830 9.5302E-82 1.2331 1.1752E-81 168252.037 242645.725 3.3991E-84 0.0000 0.0000E+00 168282.045 242645.621 5.8986E-87 0.4531 2.6727E-87 168312.053 242645.516 4.9805E-90 0.5400 2.6896E-90 Sum: 1.3097E-79 Sum: 2.5433E-79 Estimated Infiltration 1.9419 (= quotient of the sums) Notes: A. The northing values, easting values, and infiltration rates were selected from file: “Glaciall.NV” (Attachment I). B. The weight is found using Equation IV-2. The test case was run and the predicted infiltration rate is 1.941933 (Attachment I; file: “columninfiltration_tst.out”). Therefore, ColumnInfiltration is qualified over the range of input parameters in the input file column.data and the nine input files *.NV. This documents the accuracy of this routine for predicting infiltration rates at given points. ANL-EBS-MD-000033 REV 00 ICN 1 V-1 July 2000 ATTACHMENT V SOFTWARE ROUTINE DOCUMENTATION FOR NUFT PRE-PROCESSORS: CHIM_SURF_TP V1.1 AND CHIM_WT_TP V1.1 ROUTINE IDENTIFICATION This attachment describes the initial issue of routines: CHIM_SURF_TP V1.1 and CHIM_WT_TP V1.1. These routines were developed and compiled using f77 v SC4.2. The source codes are “chim_surf_TP.f” and “chim_wt_TP.f” (Attachment I). CHIM_SURF_TP and CHIM_WT_TP are classified as routines per AP-SI.1Q, and are qualified by this Attachment. They were run on a Sun Ultra 2 workstation with the SunOS 5.5.1 operating system. ROUTINE PURPOSE AND DESCRIPTION The purpose of the routines is to interpolate the temperature and pressure at the ground surface and at the water table for a given X-Y location using an inverse distance method. The specific input files used for this calculation are: “tspa99_primary_mesh”, “bcs99.dat”, and “column.data” (Attachment I). INVERSE DISTANCE CUBED METHOD The inverse distance cubed function is: å å = = × = n 1 i 3 i n 1 i 3 i i d 1 d 1 V V (Eq. V-1) where V = Value of interest at a given point Vi = Value at point i, di meters away di = Plan distance between points. n = Number of points in data set VALIDATION TEST CASE Documentation of the accuracy of this routine is in the form of a test case. The test case is the interpolation of temperature at an arbitrary location (170000N, 230000E) given five temperatures at various locations. The hand calculation that verifies the accuracy of the test case is in Table V-1. Due to the reduction in file size and changes in format, minor changes were made to CHIM_SURF_TP to execute the test case. The modified source code (“chim_surf_bc_tst.f”) is in Attachment I and is used to execute the test case for both “chim_surf_TP.f” and “chim_wt_TP.f” (which are equivalent routines). The input file for the test case is “chim_test” and the output file is “chim_out”. ANL-EBS-MD-000033 REV 00 ICN 1 V-2 July 2000 Table V-1. Calculation of Temperature Using Inverse Distance Cubed Method. Reference Northing: 170000 Reference Easting: 230000 Data Northing Easting 1/(distance3) Temperature Ti / (distance3) 169398.601 236623.643 3.39908E-12 14.27 4.85048E-11 172705.438 230904.031 4.30854E-11 18.62 8.0225E-10 168909.656 233244.625 2.49348E-11 17.00 4.23892E-10 171465.906 237975.359 1.87545E-12 16.89 3.16763E-11 172320.452 237217.733 2.29468E-12 17.53 4.02258E-11 Sum: 7.55894E-11 Sum: 1.34655E-09 Estimated Temperature: 17.8140 (= quotient of the sums) Notes: A. The northing and easting values were randomly selected from file: “tspa99_primary_mesh” (Attachment I). B. Temperatures were randomly selected from “bcs99.txt” (Attachment I). C. The distance is between each point and the reference location. The test case was run and the predicted temperature is 17.8140°C (Attachment I, file: “chim_out”) which is identical to the estimated temperature calculated in Table V-1. . The same interpolation is done for temperature and pressure in both routines, and therefore it is reasonable to consider the pressure to be validated as well. The routines, Chim_Surf_TP v1.0 and Chim_wt_TP v1.0, are essentially identical but read in different segments of data in bcs_99.dat for surface and water table respectively. The output files for both Chim_Surf_TP v1.0 and Chim_wt_TP v1.0 were checked against the input values and were found to be consistent. This test case therefore documents the accuracy of both Chim-Surft TP v1.0 and Chim_wt_TP v1.0 for predicting temperature and pressure at given points over the range of input parameter in the input files used (tspa99_primary_mesh, bcs_99.dat, and column.data). ANL-EBS-MD-000033 REV 00 ICN 1 VI-1 July 2000 ATTACHMENT VI SOFTWARE ROUTINE DOCUMENTATION FOR NUFT POST PROCESSOR: MYPLOT V1.1 ROUTINE DESCRIPTION MYPLOT V1.1 is a software routine developed to operate within industry-standard software MATLAB V. 5.2.0.3084 for Sun. The routine was written in the MATLAB language for technical computing. The purpose of this routine is to sort a set of NUFT output data and to produce tables of fluxes between zones in the model domain. As described in the text of this report, the domain for 2-D NUFT “chimney” models was divided into 6 sub-domains or zones, plus a boundary “Zone 0” to capture evaporation and chemical alteration processes taking place in key areas. The results of gas and liquid fluxes from NUFT modeling were listed for each of the 7 zones in separate files. These files were used as inputs to the MYPLOT routine, and they are listed below: Files for Liquid Flux Data (Associated Zone) l4c4-LDTH60-1Dds_mc-ui-01.Lflux_0_1.dat ( Zone 0: Far-field host rock) l4c4-LDTH60-1Dds_mc-ui-01.Lflux_1_2.dat ( Zone 1: Host rock above mid-plane) l4c4-LDTH60-1Dds_mc-ui-01.Lflux_2_3.dat ( Zone 2: Host rock at drift wall) l4c4-LDTH60-1Dds_mc-ui-01.Lflux_3_4.dat ( Zone 3: Backfill above spring line) l4c4-LDTH60-1Dds_mc-ui-01.Lflux_3_5.dat ( Zone 4: Backfill at drip shield) l4c4-LDTH60-1Dds_mc-ui-01.Lflux_4_5.dat ( Zone 5: Lower backfill) l4c4-LDTH60-1Dds_mc-ui-01.Lflux_5_6.dat ( Zone 6: Invert) Files for Gas Flux Data (Associated Zone) l4c4-LDTH60-1Dds_mc-ui-01.Gflux_0_1.dat ( Zone 0: Far-field host rock) l4c4-LDTH60-1Dds_mc-ui-01.Gflux_1_2.dat ( Zone 1: Host rock above mid-plane) l4c4-LDTH60-1Dds_mc-ui-01.Gflux_2_3.dat ( Zone 2: Host rock at drift wall) l4c4-LDTH60-1Dds_mc-ui-01.Gflux_3_4.dat ( Zone 3: Backfill above spring line) l4c4-LDTH60-1Dds_mc-ui-01.Gflux_3_5.dat ( Zone 4: Ba ckfill at drip shield) l4c4-LDTH60-1Dds_mc-ui-01.Gflux_4_5.dat ( Zone 5: Lower backfill) l4c4-LDTH60-1Dds_mc-ui-01.Gflux_5_6.dat ( Zone 6: Invert) Base on the input files list above, the MYPLOT routine sorts out the gas and liquid flux data for all zones and generates an output file (file: “l4c4-LDTH60-1Dds_mc-ui-flux”) that contains a summary table of data of fluxes between zones. Table VI-1 shows a listing of the routine MYPLOT. An example set of input files for the routine are provided in Tables VI-2 through VI-15. The resulting output file is listed in Table VI-16. ANL-EBS-MD-000033 REV 00 ICN 1 VI-2 July 2000 Validation of the MYPLOT routine was performed by manually checking the input and output files. The following example is intended to illustrate the relationship of the input and output files. In this case, the input file for liquid fluxes in Zone 0 (l4c4-LDTH60- 1Dds_mc-ui-01.Lflux_0_1.dat, Table VI-2) as input data. In Table VI-2, the liquid fluxes in kg/s are listed for 416 time-steps ranging from 50 to 1,000,000 years (from 1.578e+09 s to 3.156e+13 s). The MYPLOT routine translates the time in seconds (s) to years using the relation of 1 years = (365.25*86400) seconds. For example the first time-step in Table VI-2 is 1.578e+09 s. This was converted into 5.0003803E+01 years and is shown in the output file in Table VI-16. This was done for all the 416 time-steps For the flux values, the 24th time-step was randomly chosen to show the process. In Table VI-2, for the 24th time-step (time = 1.581e+09 s or 5.0098867E+01 years in Table VI-16), the liquid flux value is 3.185e-05 (kg/s). This flux value was copied to the output file (Table VI-16) in the 24th row in column A. After this process was repeated for all the liquid and gas fluxes for all zones, a summary table was completed (Table VI-16). The following list explains the output data in Table VI-16: Column Content First Column Time Index Second Column Time in seconds Column A Liquid Flux for Zone 0 (From Table VI-2) Column B Liquid Flux for Zone 1 (From Table VI-3) Column C Liquid Flux for Zone 2 (From Table VI-4) Column D Liquid Flux for Zone 3 (From Table VI-5) Column E Liquid Flux for Zone 4 (From Table VI-6) Column F Liquid Flux for Zone 5 (From Table VI-7) Column G Liquid Flux for Zone 6 (From Table VI-8) Column H Gas Flux for Zone 0 (From Table VI-9) Column I Gas Flux for Zone 1 (From Table VI-10) Column J Gas Flux for Zone 2 (From Table VI-11) Column K Gas Flux for Zone 3 (From Table VI-12) Column L Gas Flux for Zone 4 (From Table VI-13) Column M Gas Flux for Zone 5 (From Table VI-14) Column N Gas Flux for Zone 6 (From Table VI-15) Each data value in the output file was manually checked and compared against the input data. It was found that all the output data were in agreement with the input data. Therefore, the software routine MYPLOT V1.1 was validated for its intended use. This routine provides correct results for any output file set generated by NUFT V3.0s, for simulation problems that include zoning of grid blocks. The zone-to-zone liquid and gas-phase water fluxes must be written to output files by NUFT, according to specific instructions in the NUFT input file. ANL-EBS-MD-000033 REV 00 ICN 1 VI-3 July 2000 Table VI-1 Program Listing for Software Routine MYPLOT V1.1 clear infil=input('Infiltration: l=Low; m=Median; u=Upper ', 's'); if infil == 'l' catename1='-1Dds_li-'; elseif infil == 'm' catename1='-1Dds_mi-'; elseif infil == 'u' catename1='-1Dds_ui-'; end catenamel='00.Lflux_'; catenameg='00.Gflux_'; loc=input('Location = ', 's'); AML=input('AML = ', 's'); casename = strcat(loc,'-LDTH',AML,catename1,'flux.exl') % Open data files Lflux01=strcat(loc,'-LDTH',AML,catename1,catenamel,'0_1.dat'); fid_L01 = fopen(Lflux01, 'rt'); Lflux12=strcat(loc,'-LDTH',AML,catename1,catenamel,'1_2.dat'); fid_L12 = fopen(Lflux12, 'rt'); Lflux23=strcat(loc,'-LDTH',AML,catename1,catenamel,'2_3.dat'); fid_L23 = fopen(Lflux23, 'rt'); Lflux34=strcat(loc,'-LDTH',AML,catename1,catenamel,'3_4.dat'); fid_L34 = fopen(Lflux34, 'rt'); Lflux35=strcat(loc,'-LDTH',AML,catename1,catenamel,'3_5.dat'); fid_L35 = fopen(Lflux35, 'rt'); Lflux45=strcat(loc,'-LDTH',AML,catename1,catenamel,'4_5.dat'); fid_L45 = fopen(Lflux45, 'rt'); Lflux56=strcat(loc,'-LDTH',AML,catename1,catenamel,'5_6.dat'); fid_L56 = fopen(Lflux56, 'rt'); Gflux01=strcat(loc,'-LDTH',AML,catename1,catenameg,'0_1.dat'); fid_G01 = fopen(Gflux01, 'rt'); Gflux12=strcat(loc,'-LDTH',AML,catename1,catenameg,'1_2.dat'); fid_G12 = fopen(Gflux12, 'rt'); Gflux23=strcat(loc,'-LDTH',AML,catename1,catenameg,'2_3.dat'); fid_G23 = fopen(Gflux23, 'rt'); Gflux34=strcat(loc,'-LDTH',AML,catename1,catenameg,'3_4.dat'); fid_G34 = fopen(Gflux34, 'rt'); Gflux35=strcat(loc,'-LDTH',AML,catename1,catenameg,'3_5.dat'); fid_G35 = fopen(Gflux35, 'rt'); Gflux45=strcat(loc,'-LDTH',AML,catename1,catenameg,'4_5.dat'); fid_G45 = fopen(Gflux45, 'rt'); Gflux56=strcat(loc,'-LDTH',AML,catename1,catenameg,'5_6.dat'); fid_G56 = fopen(Gflux56, 'rt'); %%% Open Liquid files while 1, comment = fscanf(fid_L01,'%s',1); if (size(comment,2) == size('(kg/s)',2)) if (comment == '(kg/s)') ANL-EBS-MD-000033 REV 00 ICN 1 VI-4 July 2000 break end end end while 1, comment = fscanf(fid_L12,'%s',1); if (size(comment,2) == size('(kg/s)',2)) if (comment == '(kg/s)') break end end end while 1, comment = fscanf(fid_L23,'%s',1); if (size(comment,2) == size('(kg/s)',2)) if (comment == '(kg/s)') break end end end while 1, comment = fscanf(fid_L34,'%s',1); if (size(comment,2) == size('(kg/s)',2)) if (comment == '(kg/s)') break end end end while 1, comment = fscanf(fid_L35,'%s',1); if (size(comment,2) == size('(kg/s)',2)) if (comment == '(kg/s)') break end end end while 1, comment = fscanf(fid_L45,'%s',1); if (size(comment,2) == size('(kg/s)',2)) if (comment == '(kg/s)') break end end end while 1, comment = fscanf(fid_L56,'%s',1); if (size(comment,2) == size('(kg/s)',2)) if (comment == '(kg/s)') break end end end %%% Scan Gas files while 1, comment = fscanf(fid_G01,'%s',1); if (size(comment,2) == size('(kg/s)',2)) ANL-EBS-MD-000033 REV 00 ICN 1 VI-5 July 2000 if (comment == '(kg/s)') break end end end while 1, comment = fscanf(fid_G12,'%s',1); if (size(comment,2) == size('(kg/s)',2)) if (comment == '(kg/s)') break end end end while 1, comment = fscanf(fid_G23,'%s',1); if (size(comment,2) == size('(kg/s)',2)) if (comment == '(kg/s)') break end end end while 1, comment = fscanf(fid_G34,'%s',1); if (size(comment,2) == size('(kg/s)',2)) if (comment == '(kg/s)') break end end end while 1, comment = fscanf(fid_G35,'%s',1); if (size(comment,2) == size('(kg/s)',2)) if (comment == '(kg/s)') break end end end while 1, comment = fscanf(fid_G45,'%s',1); if (size(comment,2) == size('(kg/s)',2)) if (comment == '(kg/s)') break end end end while 1, comment = fscanf(fid_G56,'%s',1); if (size(comment,2) == size('(kg/s)',2)) if (comment == '(kg/s)') break end end end %% Read real data i = 0; while 1, ANL-EBS-MD-000033 REV 00 ICN 1 VI-6 July 2000 i = i+1; [data01, count] = fscanf(fid_L01,'%e',2); [data12, count] = fscanf(fid_L12,'%e',2); [data23, count] = fscanf(fid_L23,'%e',2); [data34, count] = fscanf(fid_L34,'%e',2); [data35, count] = fscanf(fid_L35,'%e',2); [data45, count] = fscanf(fid_L45,'%e',2); [data56, count] = fscanf(fid_L56,'%e',2); [datag01, count] = fscanf(fid_G01,'%e',2); [datag12, count] = fscanf(fid_G12,'%e',2); [datag23, count] = fscanf(fid_G23,'%e',2); [datag34, count] = fscanf(fid_G34,'%e',2); [datag35, count] = fscanf(fid_G35,'%e',2); [datag45, count] = fscanf(fid_G45,'%e',2); [datag56, count] = fscanf(fid_G56,'%e',2); if (count == 0) break end tt(i) = data01(1); flux_L01(i)=data01(2); flux_L12(i)=data12(2); flux_L23(i)=data23(2); flux_L34(i)=data34(2); flux_L35(i)=data35(2); flux_L45(i)=data45(2); flux_L56(i)=data56(2); flux_G01(i)=datag01(2); flux_G12(i)=datag12(2); flux_G23(i)=datag23(2); flux_G34(i)=datag34(2); flux_G35(i)=datag35(2); flux_G45(i)=datag45(2); flux_G56(i)=datag56(2); end st=fclose('all'); t=tt/365.25/86400; %%% Plot Data fluxtab=[t' flux_L01' flux_L12' flux_L23' flux_L34' flux_L35' flux_L45' flux_L56' ... flux_G01' flux_G12' flux_G23' flux_G34' flux_G35' flux_G45' flux_G56']; save casename fluxtab -ascii subplot(211) semilogx(t, flux_L01,t, flux_L12,t, flux_L23,t, flux_L34,t, flux_L35, t, flux_L45, t, flux_L56) ylabel('Liquid Flux, kg/s') subplot(212) semilogx(t, flux_G01,t, flux_G12,t, flux_G23,t, flux_G34,t, flux_G35, t, flux_G45, t, flux_G56) legend('0-->1','1-->2','2-->3','3-->4','3-->5','4-->5','5-->6') ylabel('Gas Flux, kg/s') xlabel('Time, years') ANL-EBS-MD-000033 REV 00 ICN 1 VI-7 July 2000 Table VI-2. Listing for Data file “l4c4-LDTH60-1Dds_mc-ui-01.Lflux_0_1.dat” NUFT Version 3.0s (SUN/SOLARIS). Copyright (c) 1992. The NUFT code is copyrighted by the Regents of the University of California. All rights reserved. Operating System: SunOS s139.es.llnl.gov 5.5.1 Generic_103640-24 sun4u sparc SUNW,Ultra-2 C Compiler: CC: WorkShop Compilers 4.2 18 Sep 1997 C++ 4.2 patch 104631-04 Fortran Compiler: f77: WorkShop Compilers 4.2 04 Mar 1997 FORTRAN 77 4.2 patch 104529-01 Run Date: Wed Nov 3 23:00:11 1999 *l4c4-LDTH60-1Dds_mc-ui-01* 1.0130000e+01mm_yr,lineload, AML=60mtu_acre,LDTH601Dds_mi $flux Q.water.liquid summed over connections time (s) flux (kg/s) (The columns of sequential numbers are time step indices added by the author for reference.) 1.578e+09 0.000e+00 1 1.578e+09 3.161e-05 2 1.578e+09 3.161e-05 3 1.578e+09 3.162e-05 4 1.578e+09 3.162e-05 5 1.578e+09 3.162e-05 6 1.578e+09 3.162e-05 7 1.578e+09 3.162e-05 8 1.578e+09 3.162e-05 9 1.578e+09 3.162e-05 10 1.578e+09 3.162e-05 11 1.578e+09 3.162e-05 12 1.578e+09 3.162e-05 13 1.578e+09 3.163e-05 14 1.578e+09 3.163e-05 15 1.578e+09 3.165e-05 16 1.579e+09 3.166e-05 17 1.579e+09 3.170e-05 18 1.579e+09 3.171e-05 19 1.579e+09 3.175e-05 20 1.580e+09 3.178e-05 21 1.580e+09 3.180e-05 22 1.580e+09 3.183e-05 23 1.581e+09 3.185e-05 24 1.581e+09 3.186e-05 25 1.582e+09 3.187e-05 26 1.583e+09 3.187e-05 27 1.583e+09 3.187e-05 28 1.584e+09 3.187e-05 29 1.585e+09 3.185e-05 30 1.587e+09 3.183e-05 31 1.588e+09 3.182e-05 32 1.590e+09 3.180e-05 33 1.592e+09 3.177e-05 34 1.593e+09 3.176e-05 35 1.594e+09 3.175e-05 36 1.595e+09 3.175e-05 37 1.595e+09 3.174e-05 38 1.596e+09 3.174e-05 39 1.596e+09 3.173e-05 40 1.597e+09 3.173e-05 41 1.598e+09 3.172e-05 42 1.599e+09 3.171e-05 43 1.600e+09 3.171e-05 44 1.600e+09 3.171e-05 45 1.601e+09 3.170e-05 46 1.601e+09 3.170e-05 47 1.602e+09 3.170e-05 48 1.603e+09 3.169e-05 49 1.603e+09 3.169e-05 50 1.604e+09 3.169e-05 51 1.604e+09 3.169e-05 52 1.604e+09 3.169e-05 53 1.605e+09 3.169e-05 54 1.605e+09 3.169e-05 55 1.606e+09 3.169e-05 56 1.606e+09 3.168e-05 57 1.607e+09 3.168e-05 58 1.608e+09 3.168e-05 59 1.609e+09 3.168e-05 60 1.610e+09 3.168e-05 61 1.610e+09 3.168e-05 62 1.610e+09 3.168e-05 63 1.611e+09 3.168e-05 64 1.611e+09 3.168e-05 65 1.612e+09 3.168e-05 66 1.613e+09 3.168e-05 67 1.614e+09 3.168e-05 68 1.615e+09 3.168e-05 69 1.616e+09 3.168e-05 70 1.617e+09 3.168e-05 71 1.618e+09 3.168e-05 72 1.620e+09 3.168e-05 73 1.622e+09 3.168e-05 74 1.624e+09 3.169e-05 75 1.625e+09 3.169e-05 76 1.626e+09 3.169e-05 77 1.628e+09 3.170e-05 78 1.628e+09 3.170e-05 79 1.629e+09 3.170e-05 80 1.629e+09 3.170e-05 81 1.630e+09 3.170e-05 82 1.631e+09 3.171e-05 83 1.633e+09 3.171e-05 84 1.635e+09 3.172e-05 85 1.637e+09 3.172e-05 86 1.641e+09 3.173e-05 87 1.642e+09 3.174e-05 88 1.643e+09 3.174e-05 89 1.645e+09 3.174e-05 90 1.647e+09 3.175e-05 91 1.649e+09 3.175e-05 92 1.651e+09 3.176e-05 93 1.653e+09 3.177e-05 94 1.654e+09 3.177e-05 95 1.655e+09 3.177e-05 96 1.657e+09 3.178e-05 97 1.658e+09 3.178e-05 98 1.660e+09 3.179e-05 99 1.663e+09 3.179e-05 100 1.666e+09 3.180e-05 101 1.669e+09 3.181e-05 102 1.672e+09 3.182e-05 103 1.677e+09 3.184e-05 104 1.682e+09 3.185e-05 105 1.687e+09 3.187e-05 106 1.692e+09 3.189e-05 107 1.698e+09 3.191e-05 108 1.704e+09 3.193e-05 109 1.710e+09 3.195e-05 110 1.716e+09 3.197e-05 111 1.722e+09 3.199e-05 112 1.726e+09 3.200e-05 113 1.730e+09 3.201e-05 114 1.736e+09 3.203e-05 115 1.742e+09 3.205e-05 116 1.749e+09 3.208e-05 117 ANL-EBS-MD-000033 REV 00 ICN 1 VI-8 June 2000 1.753e+09 3.209e-05 118 1.757e+09 3.210e-05 119 1.762e+09 3.212e-05 120 1.768e+09 3.214e-05 121 1.775e+09 3.217e-05 122 1.782e+09 3.219e-05 123 1.786e+09 3.221e-05 124 1.789e+09 3.222e-05 125 1.792e+09 3.223e-05 126 1.796e+09 3.224e-05 127 1.801e+09 3.226e-05 128 1.807e+09 3.228e-05 129 1.813e+09 3.230e-05 130 1.818e+09 3.232e-05 131 1.826e+09 3.235e-05 132 1.835e+09 3.238e-05 133 1.842e+09 3.241e-05 134 1.846e+09 3.242e-05 135 1.850e+09 3.244e-05 136 1.854e+09 3.245e-05 137 1.859e+09 3.247e-05 138 1.866e+09 3.249e-05 139 1.874e+09 3.252e-05 140 1.883e+09 3.255e-05 141 1.890e+09 3.258e-05 142 1.893e+09 3.259e-05 143 1.896e+09 3.260e-05 144 1.900e+09 3.261e-05 145 1.906e+09 3.263e-05 146 1.915e+09 3.266e-05 147 1.927e+09 3.270e-05 148 1.940e+09 3.274e-05 149 1.954e+09 3.279e-05 150 1.960e+09 3.281e-05 151 1.966e+09 3.283e-05 152 1.975e+09 3.286e-05 153 1.986e+09 3.289e-05 154 2.002e+09 3.295e-05 155 2.017e+09 3.299e-05 156 2.029e+09 3.303e-05 157 2.041e+09 3.306e-05 158 2.054e+09 3.310e-05 159 2.074e+09 3.315e-05 160 2.082e+09 3.318e-05 161 2.091e+09 3.320e-05 162 2.102e+09 3.323e-05 163 2.117e+09 3.328e-05 164 2.142e+09 3.335e-05 165 2.175e+09 3.344e-05 166 2.215e+09 3.354e-05 167 2.271e+09 3.368e-05 168 2.341e+09 3.385e-05 169 2.346e+09 3.386e-05 170 2.352e+09 3.387e-05 171 2.364e+09 3.390e-05 172 2.388e+09 3.396e-05 173 2.432e+09 3.405e-05 174 2.507e+09 3.420e-05 175 2.512e+09 3.421e-05 176 2.517e+09 3.422e-05 177 2.527e+09 3.424e-05 178 2.549e+09 3.428e-05 179 2.592e+09 3.437e-05 180 2.604e+09 3.439e-05 181 2.617e+09 3.442e-05 182 2.643e+09 3.447e-05 183 2.694e+09 3.456e-05 184 2.722e+09 3.459e-05 185 2.749e+09 3.464e-05 186 2.803e+09 3.471e-05 187 2.897e+09 3.479e-05 188 3.037e+09 3.487e-05 189 3.156e+09 3.491e-05 190 3.338e+09 3.505e-05 191 3.600e+09 3.527e-05 192 3.931e+09 3.535e-05 193 4.299e+09 3.512e-05 194 4.581e+09 3.478e-05 195 4.864e+09 3.450e-05 196 5.232e+09 3.437e-05 197 5.759e+09 3.422e-05 198 5.954e+09 3.415e-05 199 6.052e+09 3.412e-05 200 6.150e+09 3.409e-05 201 6.312e+09 3.402e-05 202 6.503e+09 3.399e-05 203 6.867e+09 3.397e-05 204 7.485e+09 3.391e-05 205 7.935e+09 3.386e-05 206 8.047e+09 3.386e-05 207 8.160e+09 3.385e-05 208 8.392e+09 3.385e-05 209 8.838e+09 3.385e-05 210 9.302e+09 3.384e-05 211 9.467e+09 3.383e-05 212 9.931e+09 3.383e-05 213 1.020e+10 3.383e-05 214 1.046e+10 3.382e-05 215 1.065e+10 3.382e-05 216 1.084e+10 3.386e-05 217 1.102e+10 3.381e-05 218 1.121e+10 3.380e-05 219 1.155e+10 3.380e-05 220 1.206e+10 3.378e-05 221 1.231e+10 3.377e-05 222 1.256e+10 3.375e-05 223 1.262e+10 3.376e-05 224 1.313e+10 3.372e-05 225 1.321e+10 3.372e-05 226 1.330e+10 3.373e-05 227 1.348e+10 3.370e-05 228 1.372e+10 3.369e-05 229 1.396e+10 3.367e-05 230 1.440e+10 3.364e-05 231 1.452e+10 3.365e-05 232 1.465e+10 3.362e-05 233 1.477e+10 3.363e-05 234 1.489e+10 3.360e-05 235 1.514e+10 3.358e-05 236 1.546e+10 3.356e-05 237 1.578e+10 3.353e-05 238 1.594e+10 3.352e-05 239 1.611e+10 3.352e-05 240 1.628e+10 3.349e-05 241 1.645e+10 3.347e-05 242 1.663e+10 3.346e-05 243 1.681e+10 3.344e-05 244 1.700e+10 3.342e-05 245 1.718e+10 3.341e-05 246 1.751e+10 3.338e-05 247 1.802e+10 3.333e-05 248 1.853e+10 3.328e-05 249 1.882e+10 3.329e-05 250 1.910e+10 3.580e-05 251 1.913e+10 3.604e-05 252 1.915e+10 3.632e-05 253 1.920e+10 3.703e-05 254 1.931e+10 3.895e-05 255 1.935e+10 3.977e-05 256 1.939e+10 4.066e-05 257 1.948e+10 4.261e-05 258 1.953e+10 4.382e-05 259 1.958e+10 4.504e-05 260 1.963e+10 4.627e-05 261 1.968e+10 4.748e-05 262 1.978e+10 4.969e-05 263 1.986e+10 5.124e-05 264 1.993e+10 5.265e-05 265 2.002e+10 5.416e-05 266 2.009e+10 5.518e-05 267 2.016e+10 5.608e-05 268 2.030e+10 5.748e-05 269 2.040e+10 5.831e-05 270 2.051e+10 5.899e-05 271 2.071e+10 5.991e-05 272 2.074e+10 6.004e-05 273 2.077e+10 6.017e-05 274 2.084e+10 6.041e-05 275 2.086e+10 6.048e-05 276 2.088e+10 6.055e-05 277 2.094e+10 6.069e-05 278 2.099e+10 6.081e-05 279 2.103e+10 6.092e-05 280 2.114e+10 6.110e-05 281 2.125e+10 6.126e-05 282 2.136e+10 6.137e-05 283 2.145e+10 6.146e-05 284 2.154e+10 6.152e-05 285 2.173e+10 6.160e-05 286 2.209e+10 6.169e-05 287 2.247e+10 6.175e-05 288 2.320e+10 6.178e-05 289 2.377e+10 6.179e-05 290 2.433e+10 6.179e-05 291 2.467e+10 6.179e-05 292 2.501e+10 6.179e-05 293 2.516e+10 6.179e-05 294 2.524e+10 6.178e-05 295 2.532e+10 6.179e-05 296 2.536e+10 6.178e-05 297 2.541e+10 6.178e-05 298 2.550e+10 6.178e-05 299 2.565e+10 6.178e-05 300 2.573e+10 6.178e-05 301 2.580e+10 6.178e-05 302 2.596e+10 6.178e-05 303 2.630e+10 6.177e-05 304 2.663e+10 6.176e-05 305 2.695e+10 6.176e-05 306 ANL-EBS-MD-000033 REV 00 ICN 1 VI-9 June 2000 2.757e+10 6.175e-05 307 2.803e+10 6.174e-05 308 2.849e+10 6.172e-05 309 2.873e+10 6.172e-05 310 2.897e+10 6.171e-05 311 2.944e+10 6.170e-05 312 2.985e+10 6.169e-05 313 3.026e+10 6.168e-05 314 3.054e+10 6.168e-05 315 3.082e+10 6.167e-05 316 3.121e+10 6.166e-05 317 3.156e+10 6.165e-05 318 3.173e+10 6.165e-05 319 3.182e+10 6.165e-05 320 3.191e+10 6.165e-05 321 3.209e+10 6.164e-05 322 3.238e+10 6.164e-05 323 3.279e+10 6.163e-05 324 3.316e+10 6.163e-05 325 3.353e+10 6.161e-05 326 3.371e+10 6.161e-05 327 3.388e+10 6.160e-05 328 3.423e+10 6.159e-05 329 3.450e+10 6.158e-05 330 3.464e+10 6.158e-05 331 3.478e+10 6.157e-05 332 3.488e+10 6.157e-05 333 3.498e+10 6.157e-05 334 3.501e+10 6.156e-05 335 3.503e+10 6.156e-05 336 3.509e+10 6.156e-05 337 3.516e+10 6.156e-05 338 3.523e+10 6.156e-05 339 3.537e+10 6.155e-05 340 3.549e+10 6.155e-05 341 3.561e+10 6.154e-05 342 3.573e+10 6.154e-05 343 3.576e+10 6.154e-05 344 3.579e+10 6.154e-05 345 3.586e+10 6.153e-05 346 3.593e+10 6.153e-05 347 3.600e+10 6.153e-05 348 3.615e+10 6.152e-05 349 3.642e+10 6.151e-05 350 3.657e+10 6.151e-05 351 3.671e+10 6.150e-05 352 3.702e+10 6.150e-05 353 3.702e+10 6.150e-05 354 3.702e+10 6.150e-05 355 3.702e+10 6.150e-05 356 3.702e+10 6.149e-05 357 3.702e+10 6.149e-05 358 3.702e+10 6.149e-05 359 3.702e+10 6.148e-05 360 3.703e+10 6.149e-05 361 3.703e+10 6.149e-05 362 3.704e+10 6.149e-05 363 3.704e+10 6.149e-05 364 3.704e+10 6.149e-05 365 3.704e+10 6.148e-05 366 3.704e+10 6.149e-05 367 3.704e+10 6.149e-05 368 3.704e+10 6.149e-05 369 3.704e+10 6.149e-05 370 3.704e+10 6.149e-05 371 3.704e+10 6.149e-05 372 3.704e+10 6.149e-05 373 3.704e+10 6.149e-05 374 3.704e+10 6.149e-05 375 3.704e+10 6.149e-05 376 3.704e+10 6.149e-05 377 3.704e+10 6.149e-05 378 3.705e+10 6.149e-05 379 3.706e+10 6.149e-05 380 3.710e+10 6.149e-05 381 3.717e+10 6.149e-05 382 3.733e+10 6.148e-05 383 3.768e+10 6.147e-05 384 3.794e+10 6.146e-05 385 3.821e+10 6.146e-05 386 3.878e+10 6.144e-05 387 4.000e+10 6.141e-05 388 4.255e+10 6.133e-05 389 4.734e+10 6.121e-05 390 5.233e+10 6.111e-05 391 6.137e+10 6.099e-05 392 6.312e+10 6.103e-05 393 7.707e+10 1.028e-04 394 7.889e+10 1.041e-04 395 9.467e+10 1.047e-04 396 1.113e+11 1.045e-04 397 1.262e+11 1.047e-04 398 1.483e+11 1.047e-04 399 1.578e+11 1.049e-04 400 1.886e+11 1.048e-04 401 2.209e+11 1.049e-04 402 2.645e+11 1.049e-04 403 3.156e+11 1.050e-04 404 3.809e+11 1.051e-04 405 4.837e+11 1.049e-04 406 6.330e+11 1.049e-04 407 8.519e+11 1.050e-04 408 1.181e+12 1.050e-04 409 1.691e+12 1.050e-04 410 2.533e+12 1.051e-04 411 4.020e+12 1.051e-04 412 6.952e+12 1.051e-04 413 1.319e+13 1.052e-04 414 2.693e+13 1.052e-04 415 3.156e+13 1.052e-04 416 ANL-EBS-MD-000033 REV 00 ICN 1 VI-10 June 2000 Table VI-3. Listing for Data file “l4c4-LDTH60-1Dds_mc-ui-01.Lflux_1_2.dat” NUFT Version 3.0s (SUN/SOLARIS). Copyright (c) 1992. The NUFT code is copyrighted by the Regents of the University of California. All rights reserved. Operating System: SunOS s139.es.llnl.gov 5.5.1 Generic_103640-24 sun4u sparc SUNW,Ultra-2 C Compiler: CC: WorkShop Compilers 4.2 18 Sep 1997 C++ 4.2 patch 104631-04 Fortran Compiler: f77: WorkShop Compilers 4.2 04 Mar 1997 FORTRAN 77 4.2 patch 104529-01 Run Date: Wed Nov 3 23:00:12 1999 *l4c4-LDTH60-1Dds_mc-ui-01* 1.0130000e+01mm_yr,lineload, AML=60mtu_acre,LDTH601Dds_mi $flux Q.water.liquid summed over connections time (s) flux (kg/s) (The columns of sequential numbers are time step indices added by the author for reference.) 1.578e+09 0.000e+00 1 1.578e+09 9.833e-06 2 1.578e+09 1.209e-05 3 1.578e+09 1.291e-05 4 1.578e+09 1.245e-05 5 1.578e+09 1.103e-05 6 1.578e+09 9.115e-06 7 1.578e+09 7.248e-06 8 1.578e+09 5.692e-06 9 1.578e+09 4.802e-06 10 1.578e+09 4.451e-06 11 1.578e+09 4.437e-06 12 1.578e+09 4.571e-06 13 1.578e+09 4.745e-06 14 1.578e+09 4.803e-06 15 1.578e+09 4.826e-06 16 1.579e+09 4.798e-06 17 1.579e+09 4.739e-06 18 1.579e+09 4.618e-06 19 1.579e+09 4.508e-06 20 1.580e+09 4.393e-06 21 1.580e+09 4.276e-06 22 1.580e+09 4.164e-06 23 1.581e+09 4.054e-06 24 1.581e+09 3.965e-06 25 1.582e+09 3.867e-06 26 1.583e+09 3.778e-06 27 1.583e+09 3.690e-06 28 1.584e+09 3.610e-06 29 1.585e+09 3.526e-06 30 1.587e+09 3.472e-06 31 1.588e+09 3.447e-06 32 1.590e+09 3.456e-06 33 1.592e+09 3.500e-06 34 1.593e+09 3.543e-06 35 1.594e+09 3.616e-06 36 1.595e+09 3.690e-06 37 1.595e+09 3.751e-06 38 1.596e+09 3.825e-06 39 1.596e+09 3.935e-06 40 1.597e+09 4.047e-06 41 1.598e+09 4.202e-06 42 1.599e+09 4.524e-06 43 1.600e+09 4.921e-06 44 1.600e+09 5.091e-06 45 1.601e+09 5.288e-06 46 1.601e+09 5.682e-06 47 1.602e+09 6.425e-06 48 1.603e+09 7.681e-06 49 1.603e+09 8.680e-06 50 1.604e+09 9.829e-06 51 1.604e+09 1.021e-05 52 1.604e+09 1.057e-05 53 1.605e+09 1.135e-05 54 1.605e+09 1.295e-05 55 1.606e+09 1.583e-05 56 1.606e+09 1.779e-05 57 1.607e+09 2.005e-05 58 1.608e+09 2.262e-05 59 1.609e+09 2.485e-05 60 1.610e+09 2.671e-05 61 1.610e+09 2.730e-05 62 1.610e+09 2.795e-05 63 1.611e+09 2.880e-05 64 1.611e+09 2.981e-05 65 1.612e+09 3.098e-05 66 1.613e+09 3.224e-05 67 1.614e+09 3.378e-05 68 1.615e+09 3.471e-05 69 1.616e+09 3.566e-05 70 1.617e+09 3.659e-05 71 1.618e+09 3.725e-05 72 1.620e+09 3.766e-05 73 1.622e+09 3.752e-05 74 1.624e+09 3.688e-05 75 1.625e+09 3.660e-05 76 1.626e+09 3.671e-05 77 1.628e+09 3.664e-05 78 1.628e+09 3.631e-05 79 1.629e+09 3.625e-05 80 1.629e+09 3.610e-05 81 1.630e+09 3.579e-05 82 1.631e+09 3.568e-05 83 1.633e+09 3.492e-05 84 1.635e+09 3.453e-05 85 1.637e+09 3.355e-05 86 1.641e+09 3.308e-05 87 1.642e+09 3.248e-05 88 1.643e+09 3.209e-05 89 1.645e+09 3.125e-05 90 1.647e+09 3.110e-05 91 1.649e+09 3.042e-05 92 1.651e+09 2.876e-05 93 1.653e+09 2.729e-05 94 1.654e+09 2.671e-05 95 1.655e+09 2.613e-05 96 1.657e+09 2.550e-05 97 1.658e+09 2.490e-05 98 1.660e+09 2.462e-05 99 1.663e+09 2.395e-05 100 1.666e+09 2.267e-05 101 1.669e+09 2.218e-05 102 1.672e+09 2.094e-05 103 1.677e+09 1.958e-05 104 1.682e+09 1.847e-05 105 1.687e+09 1.736e-05 106 1.692e+09 1.637e-05 107 1.698e+09 1.629e-05 108 ANL-EBS-MD-000033 REV 00 ICN 1 VI-11 June 2000 1.704e+09 1.579e-05 109 1.710e+09 1.480e-05 110 1.716e+09 1.295e-05 111 1.722e+09 1.149e-05 112 1.726e+09 9.946e-06 113 1.730e+09 8.391e-06 114 1.736e+09 6.397e-06 115 1.742e+09 4.735e-06 116 1.749e+09 4.002e-06 117 1.753e+09 2.962e-06 118 1.757e+09 2.421e-06 119 1.762e+09 1.789e-06 120 1.768e+09 1.107e-06 121 1.775e+09 1.059e-06 122 1.782e+09 1.013e-06 123 1.786e+09 1.018e-06 124 1.789e+09 1.011e-06 125 1.792e+09 9.884e-07 126 1.796e+09 9.138e-07 127 1.801e+09 8.288e-07 128 1.807e+09 7.467e-07 129 1.813e+09 6.638e-07 130 1.818e+09 6.056e-07 131 1.826e+09 5.864e-07 132 1.835e+09 5.493e-07 133 1.842e+09 4.980e-07 134 1.846e+09 4.895e-07 135 1.850e+09 4.800e-07 136 1.854e+09 4.678e-07 137 1.859e+09 4.688e-07 138 1.866e+09 4.656e-07 139 1.874e+09 3.717e-07 140 1.883e+09 3.306e-07 141 1.890e+09 3.399e-07 142 1.893e+09 3.478e-07 143 1.896e+09 3.479e-07 144 1.900e+09 3.426e-07 145 1.906e+09 3.435e-07 146 1.915e+09 3.365e-07 147 1.927e+09 2.483e-07 148 1.940e+09 1.990e-07 149 1.954e+09 2.391e-07 150 1.960e+09 2.520e-07 151 1.966e+09 2.210e-07 152 1.975e+09 1.764e-07 153 1.986e+09 1.411e-07 154 2.002e+09 1.782e-07 155 2.017e+09 2.462e-07 156 2.029e+09 1.916e-07 157 2.041e+09 1.048e-07 158 2.054e+09 6.883e-08 159 2.074e+09 1.445e-07 160 2.082e+09 1.742e-07 161 2.091e+09 1.213e-07 162 2.102e+09 4.723e-08 163 2.117e+09 4.533e-09 164 2.142e+09 7.923e-11 165 2.175e+09 1.487e-11 166 2.215e+09 9.660e-12 167 2.271e+09 8.090e-12 168 2.341e+09 6.813e-12 169 2.346e+09 6.721e-12 170 2.352e+09 6.634e-12 171 2.364e+09 6.477e-12 172 2.388e+09 6.239e-12 173 2.432e+09 5.963e-12 174 2.507e+09 5.698e-12 175 2.512e+09 5.681e-12 176 2.517e+09 5.661e-12 177 2.527e+09 5.618e-12 178 2.549e+09 5.529e-12 179 2.592e+09 5.370e-12 180 2.604e+09 5.322e-12 181 2.617e+09 5.278e-12 182 2.643e+09 5.204e-12 183 2.694e+09 5.111e-12 184 2.722e+09 5.063e-12 185 2.749e+09 5.031e-12 186 2.803e+09 5.005e-12 187 2.897e+09 5.030e-12 188 3.037e+09 5.233e-12 189 3.156e+09 5.493e-12 190 3.338e+09 5.691e-12 191 3.600e+09 6.024e-12 192 3.931e+09 6.912e-12 193 4.299e+09 8.877e-12 194 4.581e+09 1.154e-11 195 4.864e+09 1.507e-11 196 5.232e+09 1.909e-11 197 5.759e+09 2.792e-11 198 5.954e+09 3.292e-11 199 6.052e+09 3.595e-11 200 6.150e+09 3.948e-11 201 6.312e+09 4.803e-11 202 6.503e+09 5.840e-11 203 6.867e+09 9.539e-11 204 7.485e+09 7.966e-10 205 7.935e+09 1.228e-08 206 8.047e+09 1.812e-08 207 8.160e+09 2.467e-08 208 8.392e+09 3.700e-08 209 8.838e+09 5.685e-08 210 9.302e+09 6.636e-08 211 9.467e+09 6.450e-08 212 9.931e+09 8.325e-08 213 1.020e+10 1.046e-07 214 1.046e+10 1.225e-07 215 1.065e+10 3.314e-07 216 1.084e+10 5.207e-07 217 1.102e+10 6.146e-07 218 1.121e+10 5.555e-07 219 1.155e+10 7.201e-07 220 1.206e+10 9.783e-07 221 1.231e+10 1.133e-06 222 1.256e+10 1.331e-06 223 1.262e+10 1.408e-06 224 1.313e+10 1.775e-06 225 1.321e+10 1.837e-06 226 1.330e+10 1.916e-06 227 1.348e+10 2.243e-06 228 1.372e+10 2.119e-06 229 1.396e+10 2.307e-06 230 1.440e+10 2.583e-06 231 1.452e+10 2.677e-06 232 1.465e+10 2.725e-06 233 1.477e+10 2.806e-06 234 1.489e+10 2.813e-06 235 1.514e+10 3.166e-06 236 1.546e+10 3.211e-06 237 1.578e+10 3.218e-06 238 1.594e+10 3.285e-06 239 1.611e+10 3.368e-06 240 1.628e+10 3.428e-06 241 1.645e+10 3.518e-06 242 1.663e+10 3.588e-06 243 1.681e+10 3.641e-06 244 1.700e+10 3.672e-06 245 1.718e+10 3.690e-06 246 1.751e+10 3.681e-06 247 1.802e+10 3.710e-06 248 1.853e+10 3.844e-06 249 1.882e+10 3.986e-06 250 1.910e+10 4.435e-06 251 1.913e+10 4.476e-06 252 1.915e+10 4.509e-06 253 1.920e+10 4.611e-06 254 1.931e+10 4.952e-06 255 1.935e+10 5.052e-06 256 1.939e+10 5.171e-06 257 1.948e+10 5.554e-06 258 1.953e+10 5.752e-06 259 1.958e+10 5.899e-06 260 1.963e+10 6.070e-06 261 1.968e+10 6.211e-06 262 1.978e+10 6.422e-06 263 1.986e+10 7.194e-06 264 1.993e+10 7.295e-06 265 2.002e+10 7.562e-06 266 2.009e+10 7.792e-06 267 2.016e+10 7.971e-06 268 2.030e+10 8.197e-06 269 2.040e+10 8.292e-06 270 2.051e+10 8.379e-06 271 2.071e+10 8.490e-06 272 2.074e+10 8.505e-06 273 2.077e+10 8.520e-06 274 2.084e+10 8.549e-06 275 2.086e+10 8.557e-06 276 2.088e+10 8.564e-06 277 2.094e+10 8.572e-06 278 2.099e+10 8.579e-06 279 2.103e+10 8.592e-06 280 2.114e+10 8.624e-06 281 2.125e+10 8.655e-06 282 2.136e+10 8.680e-06 283 2.145e+10 8.702e-06 284 2.154e+10 8.720e-06 285 2.173e+10 8.756e-06 286 2.209e+10 8.819e-06 287 2.247e+10 8.835e-06 288 2.320e+10 8.937e-06 289 2.377e+10 9.034e-06 290 2.433e+10 9.137e-06 291 2.467e+10 9.180e-06 292 2.501e+10 9.255e-06 293 2.516e+10 9.289e-06 294 2.524e+10 9.309e-06 295 2.532e+10 9.327e-06 296 2.536e+10 9.336e-06 297 ANL-EBS-MD-000033 REV 00 ICN 1 VI-12 June 2000 2.541e+10 9.343e-06 298 2.550e+10 9.358e-06 299 2.565e+10 9.382e-06 300 2.573e+10 9.395e-06 301 2.580e+10 9.409e-06 302 2.596e+10 9.443e-06 303 2.630e+10 9.518e-06 304 2.663e+10 9.589e-06 305 2.695e+10 9.632e-06 306 2.757e+10 9.724e-06 307 2.803e+10 9.796e-06 308 2.849e+10 9.869e-06 309 2.873e+10 9.882e-06 310 2.897e+10 9.899e-06 311 2.944e+10 9.969e-06 312 2.985e+10 1.003e-05 313 3.026e+10 1.009e-05 314 3.054e+10 1.012e-05 315 3.082e+10 1.016e-05 316 3.121e+10 1.022e-05 317 3.156e+10 1.026e-05 318 3.173e+10 1.029e-05 319 3.182e+10 1.030e-05 320 3.191e+10 1.031e-05 321 3.209e+10 1.032e-05 322 3.238e+10 1.035e-05 323 3.279e+10 1.038e-05 324 3.316e+10 1.038e-05 325 3.353e+10 1.025e-05 326 3.371e+10 1.017e-05 327 3.388e+10 1.009e-05 328 3.423e+10 9.864e-06 329 3.450e+10 9.718e-06 330 3.464e+10 9.642e-06 331 3.478e+10 9.607e-06 332 3.488e+10 9.409e-06 333 3.498e+10 9.300e-06 334 3.501e+10 9.261e-06 335 3.503e+10 9.233e-06 336 3.509e+10 9.165e-06 337 3.516e+10 9.089e-06 338 3.523e+10 9.013e-06 339 3.537e+10 8.846e-06 340 3.549e+10 8.717e-06 341 3.561e+10 8.604e-06 342 3.573e+10 8.467e-06 343 3.576e+10 8.424e-06 344 3.579e+10 8.376e-06 345 3.586e+10 8.282e-06 346 3.593e+10 8.182e-06 347 3.600e+10 8.099e-06 348 3.615e+10 7.938e-06 349 3.642e+10 7.661e-06 350 3.657e+10 7.491e-06 351 3.671e+10 7.334e-06 352 3.702e+10 7.210e-06 353 3.702e+10 7.283e-06 354 3.702e+10 7.271e-06 355 3.702e+10 7.235e-06 356 3.702e+10 7.198e-06 357 3.702e+10 7.170e-06 358 3.702e+10 7.157e-06 359 3.702e+10 7.128e-06 360 3.703e+10 7.122e-06 361 3.703e+10 7.105e-06 362 3.704e+10 7.099e-06 363 3.704e+10 7.092e-06 364 3.704e+10 7.113e-06 365 3.704e+10 7.082e-06 366 3.704e+10 7.090e-06 367 3.704e+10 7.094e-06 368 3.704e+10 7.083e-06 369 3.704e+10 7.074e-06 370 3.704e+10 7.102e-06 371 3.704e+10 7.102e-06 372 3.704e+10 7.104e-06 373 3.704e+10 7.106e-06 374 3.704e+10 7.108e-06 375 3.704e+10 7.109e-06 376 3.704e+10 7.109e-06 377 3.704e+10 7.104e-06 378 3.705e+10 7.094e-06 379 3.706e+10 7.077e-06 380 3.710e+10 7.047e-06 381 3.717e+10 6.984e-06 382 3.733e+10 6.837e-06 383 3.768e+10 6.531e-06 384 3.794e+10 6.412e-06 385 3.821e+10 6.292e-06 386 3.878e+10 6.092e-06 387 4.000e+10 5.800e-06 388 4.255e+10 5.455e-06 389 4.734e+10 5.193e-06 390 5.233e+10 5.092e-06 391 6.137e+10 5.008e-06 392 6.312e+10 5.034e-06 393 7.707e+10 8.449e-06 394 7.889e+10 8.556e-06 395 9.467e+10 8.604e-06 396 1.113e+11 8.591e-06 397 1.262e+11 8.612e-06 398 1.483e+11 8.616e-06 399 1.578e+11 8.639e-06 400 1.886e+11 8.632e-06 401 2.209e+11 8.648e-06 402 2.645e+11 8.655e-06 403 3.156e+11 8.666e-06 404 3.809e+11 8.687e-06 405 4.837e+11 8.676e-06 406 6.330e+11 8.685e-06 407 8.519e+11 8.696e-06 408 1.181e+12 8.707e-06 409 1.691e+12 8.720e-06 410 2.533e+12 8.729e-06 411 4.020e+12 8.737e-06 412 6.952e+12 8.740e-06 413 1.319e+13 8.741e-06 414 2.693e+13 8.741e-06 415 3.156e+13 8.742e-06 416 ANL-EBS-MD-000033 REV 00 ICN 1 VI-13 July 2000 Table VI-4. Listing for Data file “l4c4-LDTH60-1Dds_mc-ui-01.Lflux_2_3.dat” NUFT Version 3.0s (SUN/SOLARIS). Copyright (c) 1992. The NUFT code is copyrighted by the Regents of the University of California. All rights reserved. Operating System: SunOS s139.es.llnl.gov 5.5.1 Generic_103640-24 sun4u sparc SUNW,Ultra-2 C Compiler: CC: WorkShop Compilers 4.2 18 Sep 1997 C++ 4.2 patch 104631-04 Fortran Compiler: f77: WorkShop Compilers 4.2 04 Mar 1997 FORTRAN 77 4.2 patch 104529-01 Run Date: Wed Nov 3 23:00:12 1999 *l4c4-LDTH60-1Dds_mc-ui-01* 1.0130000e+01mm_yr,lineload, AML=60mtu_acre,LDTH601Dds_mi $flux Q.water.liquid summed over connections time (s) flux (kg/s) (The columns of sequential numbers are time step indices added by the author for reference.) 1.578e+09 0.000e+00 1 1.578e+09 3.062e-03 2 1.578e+09 1.067e-03 3 1.578e+09 3.954e-04 4 1.578e+09 1.840e-04 5 1.578e+09 1.036e-04 6 1.578e+09 6.856e-05 7 1.578e+09 5.130e-05 8 1.578e+09 4.021e-05 9 1.578e+09 3.276e-05 10 1.578e+09 2.682e-05 11 1.578e+09 2.202e-05 12 1.578e+09 1.789e-05 13 1.578e+09 1.464e-05 14 1.578e+09 1.232e-05 15 1.578e+09 1.059e-05 16 1.579e+09 9.284e-06 17 1.579e+09 8.158e-06 18 1.579e+09 7.207e-06 19 1.579e+09 6.508e-06 20 1.580e+09 6.020e-06 21 1.580e+09 5.653e-06 22 1.580e+09 5.399e-06 23 1.581e+09 5.256e-06 24 1.581e+09 5.193e-06 25 1.582e+09 5.223e-06 26 1.583e+09 5.343e-06 27 1.583e+09 5.614e-06 28 1.584e+09 6.058e-06 29 1.585e+09 6.820e-06 30 1.587e+09 7.504e-06 31 1.588e+09 8.782e-06 32 1.590e+09 1.081e-05 33 1.592e+09 1.437e-05 34 1.593e+09 1.706e-05 35 1.594e+09 1.972e-05 36 1.595e+09 2.181e-05 37 1.595e+09 2.329e-05 38 1.596e+09 2.433e-05 39 1.596e+09 2.603e-05 40 1.597e+09 2.737e-05 41 1.598e+09 2.923e-05 42 1.599e+09 3.234e-05 43 1.600e+09 3.481e-05 44 1.600e+09 3.576e-05 45 1.601e+09 3.670e-05 46 1.601e+09 3.771e-05 47 1.602e+09 3.946e-05 48 1.603e+09 4.212e-05 49 1.603e+09 4.382e-05 50 1.604e+09 4.463e-05 51 1.604e+09 4.485e-05 52 1.604e+09 4.488e-05 53 1.605e+09 4.523e-05 54 1.605e+09 4.585e-05 55 1.606e+09 4.622e-05 56 1.606e+09 4.600e-05 57 1.607e+09 4.593e-05 58 1.608e+09 4.581e-05 59 1.609e+09 4.530e-05 60 1.610e+09 4.468e-05 61 1.610e+09 4.432e-05 62 1.610e+09 4.411e-05 63 1.611e+09 4.387e-05 64 1.611e+09 4.359e-05 65 1.612e+09 4.326e-05 66 1.613e+09 4.279e-05 67 1.614e+09 4.228e-05 68 1.615e+09 4.183e-05 69 1.616e+09 4.150e-05 70 1.617e+09 4.115e-05 71 1.618e+09 4.063e-05 72 1.620e+09 3.997e-05 73 1.622e+09 3.899e-05 74 1.624e+09 3.785e-05 75 1.625e+09 3.708e-05 76 1.626e+09 3.665e-05 77 1.628e+09 3.619e-05 78 1.628e+09 3.578e-05 79 1.629e+09 3.562e-05 80 1.629e+09 3.536e-05 81 1.630e+09 3.498e-05 82 1.631e+09 3.480e-05 83 1.633e+09 3.414e-05 84 1.635e+09 3.355e-05 85 1.637e+09 3.239e-05 86 1.641e+09 3.141e-05 87 1.642e+09 3.077e-05 88 1.643e+09 2.992e-05 89 1.645e+09 2.842e-05 90 1.647e+09 2.798e-05 91 1.649e+09 2.689e-05 92 1.651e+09 2.547e-05 93 1.653e+09 2.497e-05 94 1.654e+09 2.484e-05 95 1.655e+09 2.459e-05 96 1.657e+09 2.446e-05 97 1.658e+09 2.329e-05 98 1.660e+09 2.252e-05 99 1.663e+09 2.146e-05 100 1.666e+09 1.982e-05 101 1.669e+09 1.957e-05 102 1.672e+09 1.854e-05 103 1.677e+09 1.676e-05 104 1.682e+09 1.568e-05 105 1.687e+09 1.491e-05 106 1.692e+09 1.430e-05 107 1.698e+09 1.390e-05 108 1.704e+09 1.243e-05 109 ANL-EBS-MD-000033 REV 00 ICN 1 VI-14 July 2000 1.710e+09 1.060e-05 110 1.716e+09 9.654e-06 111 1.722e+09 6.951e-06 112 1.726e+09 4.466e-06 113 1.730e+09 3.108e-06 114 1.736e+09 1.997e-06 115 1.742e+09 1.248e-06 116 1.749e+09 6.327e-07 117 1.753e+09 6.098e-07 118 1.757e+09 5.857e-07 119 1.762e+09 5.547e-07 120 1.768e+09 5.189e-07 121 1.775e+09 4.822e-07 122 1.782e+09 4.485e-07 123 1.786e+09 4.311e-07 124 1.789e+09 4.194e-07 125 1.792e+09 4.078e-07 126 1.796e+09 3.948e-07 127 1.801e+09 3.800e-07 128 1.807e+09 3.585e-07 129 1.813e+09 3.396e-07 130 1.818e+09 3.230e-07 131 1.826e+09 3.031e-07 132 1.835e+09 2.763e-07 133 1.842e+09 2.596e-07 134 1.846e+09 2.507e-07 135 1.850e+09 2.419e-07 136 1.854e+09 2.324e-07 137 1.859e+09 2.226e-07 138 1.866e+09 2.088e-07 139 1.874e+09 1.919e-07 140 1.883e+09 1.721e-07 141 1.890e+09 1.508e-07 142 1.893e+09 1.460e-07 143 1.896e+09 1.430e-07 144 1.900e+09 1.383e-07 145 1.906e+09 1.296e-07 146 1.915e+09 1.149e-07 147 1.927e+09 9.425e-08 148 1.940e+09 7.157e-08 149 1.954e+09 5.455e-08 150 1.960e+09 5.094e-08 151 1.966e+09 4.717e-08 152 1.975e+09 4.100e-08 153 1.986e+09 3.112e-08 154 2.002e+09 1.083e-08 155 2.017e+09 0.000e+00 156 2.029e+09 0.000e+00 157 2.041e+09 0.000e+00 158 2.054e+09 0.000e+00 159 2.074e+09 0.000e+00 160 2.082e+09 0.000e+00 161 2.091e+09 0.000e+00 162 2.102e+09 0.000e+00 163 2.117e+09 0.000e+00 164 2.142e+09 0.000e+00 165 2.175e+09 0.000e+00 166 2.215e+09 0.000e+00 167 2.271e+09 0.000e+00 168 2.341e+09 0.000e+00 169 2.346e+09 0.000e+00 170 2.352e+09 0.000e+00 171 2.364e+09 0.000e+00 172 2.388e+09 0.000e+00 173 2.432e+09 0.000e+00 174 2.507e+09 0.000e+00 175 2.512e+09 0.000e+00 176 2.517e+09 0.000e+00 177 2.527e+09 0.000e+00 178 2.549e+09 0.000e+00 179 2.592e+09 0.000e+00 180 2.604e+09 0.000e+00 181 2.617e+09 0.000e+00 182 2.643e+09 0.000e+00 183 2.694e+09 0.000e+00 184 2.722e+09 0.000e+00 185 2.749e+09 0.000e+00 186 2.803e+09 0.000e+00 187 2.897e+09 0.000e+00 188 3.037e+09 0.000e+00 189 3.156e+09 0.000e+00 190 3.338e+09 0.000e+00 191 3.600e+09 0.000e+00 192 3.931e+09 0.000e+00 193 4.299e+09 0.000e+00 194 4.581e+09 0.000e+00 195 4.864e+09 0.000e+00 196 5.232e+09 0.000e+00 197 5.759e+09 0.000e+00 198 5.954e+09 0.000e+00 199 6.052e+09 0.000e+00 200 6.150e+09 0.000e+00 201 6.312e+09 0.000e+00 202 6.503e+09 0.000e+00 203 6.867e+09 0.000e+00 204 7.485e+09 0.000e+00 205 7.935e+09 0.000e+00 206 8.047e+09 0.000e+00 207 8.160e+09 0.000e+00 208 8.392e+09 0.000e+00 209 8.838e+09 0.000e+00 210 9.302e+09 0.000e+00 211 9.467e+09 0.000e+00 212 9.931e+09 2.164e-08 213 1.020e+10 4.129e-08 214 1.046e+10 5.662e-08 215 1.065e+10 6.499e-08 216 1.084e+10 7.134e-08 217 1.102e+10 7.687e-08 218 1.121e+10 8.297e-08 219 1.155e+10 9.471e-08 220 1.206e+10 2.851e-07 221 1.231e+10 3.071e-07 222 1.256e+10 4.203e-07 223 1.262e+10 4.567e-07 224 1.313e+10 6.399e-07 225 1.321e+10 6.712e-07 226 1.330e+10 7.097e-07 227 1.348e+10 4.948e-06 228 1.372e+10 9.383e-07 229 1.396e+10 1.960e-05 230 1.440e+10 1.533e-06 231 1.452e+10 1.666e-06 232 1.465e+10 1.740e-06 233 1.477e+10 1.856e-06 234 1.489e+10 1.847e-06 235 1.514e+10 7.522e-06 236 1.546e+10 2.952e-05 237 1.578e+10 2.510e-06 238 1.594e+10 2.563e-06 239 1.611e+10 2.613e-06 240 1.628e+10 2.693e-06 241 1.645e+10 2.770e-06 242 1.663e+10 2.850e-06 243 1.681e+10 3.173e-06 244 1.700e+10 3.075e-06 245 1.718e+10 3.159e-06 246 1.751e+10 3.182e-06 247 1.802e+10 3.272e-06 248 1.853e+10 3.353e-06 249 1.882e+10 3.404e-06 250 1.910e+10 3.716e-06 251 1.913e+10 3.705e-06 252 1.915e+10 3.763e-06 253 1.920e+10 3.928e-06 254 1.931e+10 5.676e-06 255 1.935e+10 4.454e-06 256 1.939e+10 4.515e-06 257 1.948e+10 4.766e-06 258 1.953e+10 5.770e-06 259 1.958e+10 5.231e-06 260 1.963e+10 8.933e-06 261 1.968e+10 5.803e-06 262 1.978e+10 6.000e-06 263 1.986e+10 6.201e-06 264 1.993e+10 6.374e-06 265 2.002e+10 6.544e-06 266 2.009e+10 6.833e-06 267 2.016e+10 8.246e-06 268 2.030e+10 1.405e-05 269 2.040e+10 7.615e-06 270 2.051e+10 7.731e-06 271 2.071e+10 7.901e-06 272 2.074e+10 7.928e-06 273 2.077e+10 7.954e-06 274 2.084e+10 8.003e-06 275 2.086e+10 8.017e-06 276 2.088e+10 8.024e-06 277 2.094e+10 8.030e-06 278 2.099e+10 8.041e-06 279 2.103e+10 8.059e-06 280 2.114e+10 8.106e-06 281 2.125e+10 8.150e-06 282 2.136e+10 8.184e-06 283 2.145e+10 8.213e-06 284 2.154e+10 8.237e-06 285 2.173e+10 8.285e-06 286 2.209e+10 8.374e-06 287 2.247e+10 8.415e-06 288 2.320e+10 8.550e-06 289 2.377e+10 8.676e-06 290 2.433e+10 8.804e-06 291 2.467e+10 8.845e-06 292 2.501e+10 8.923e-06 293 2.516e+10 8.958e-06 294 2.524e+10 8.976e-06 295 2.532e+10 8.995e-06 296 2.536e+10 9.005e-06 297 2.541e+10 9.013e-06 298 ANL-EBS-MD-000033 REV 00 ICN 1 VI-15 July 2000 2.550e+10 9.033e-06 299 2.565e+10 9.064e-06 300 2.573e+10 9.081e-06 301 2.580e+10 9.109e-06 302 2.596e+10 9.146e-06 303 2.630e+10 9.245e-06 304 2.663e+10 9.338e-06 305 2.695e+10 9.421e-06 306 2.757e+10 9.675e-06 307 2.803e+10 9.689e-06 308 2.849e+10 9.811e-06 309 2.873e+10 9.871e-06 310 2.897e+10 9.945e-06 311 2.944e+10 1.014e-05 312 2.985e+10 1.033e-05 313 3.026e+10 1.052e-05 314 3.054e+10 1.064e-05 315 3.082e+10 1.076e-05 316 3.121e+10 1.091e-05 317 3.156e+10 1.105e-05 318 3.173e+10 1.111e-05 319 3.182e+10 1.115e-05 320 3.191e+10 1.118e-05 321 3.209e+10 1.124e-05 322 3.238e+10 1.134e-05 323 3.279e+10 1.147e-05 324 3.316e+10 1.159e-05 325 3.353e+10 1.165e-05 326 3.371e+10 1.166e-05 327 3.388e+10 1.170e-05 328 3.423e+10 1.173e-05 329 3.450e+10 1.178e-05 330 3.464e+10 1.180e-05 331 3.478e+10 1.183e-05 332 3.488e+10 1.178e-05 333 3.498e+10 1.177e-05 334 3.501e+10 1.177e-05 335 3.503e+10 1.177e-05 336 3.509e+10 1.176e-05 337 3.516e+10 1.175e-05 338 3.523e+10 1.174e-05 339 3.537e+10 1.172e-05 340 3.549e+10 1.169e-05 341 3.561e+10 1.167e-05 342 3.573e+10 1.164e-05 343 3.576e+10 1.163e-05 344 3.579e+10 1.161e-05 345 3.586e+10 1.158e-05 346 3.593e+10 1.155e-05 347 3.600e+10 1.152e-05 348 3.615e+10 1.147e-05 349 3.642e+10 1.137e-05 350 3.657e+10 1.128e-05 351 3.671e+10 1.120e-05 352 3.702e+10 1.119e-05 353 3.702e+10 1.134e-05 354 3.702e+10 1.131e-05 355 3.702e+10 1.123e-05 356 3.702e+10 1.115e-05 357 3.702e+10 1.109e-05 358 3.702e+10 1.109e-05 359 3.702e+10 1.108e-05 360 3.703e+10 1.109e-05 361 3.703e+10 1.108e-05 362 3.704e+10 1.107e-05 363 3.704e+10 1.107e-05 364 3.704e+10 1.109e-05 365 3.704e+10 1.105e-05 366 3.704e+10 1.106e-05 367 3.704e+10 1.107e-05 368 3.704e+10 1.105e-05 369 3.704e+10 1.103e-05 370 3.704e+10 1.108e-05 371 3.704e+10 1.108e-05 372 3.704e+10 1.109e-05 373 3.704e+10 1.109e-05 374 3.704e+10 1.109e-05 375 3.704e+10 1.109e-05 376 3.704e+10 1.109e-05 377 3.704e+10 1.109e-05 378 3.705e+10 1.108e-05 379 3.706e+10 1.107e-05 380 3.710e+10 1.105e-05 381 3.717e+10 1.101e-05 382 3.733e+10 1.089e-05 383 3.768e+10 1.064e-05 384 3.794e+10 1.050e-05 385 3.821e+10 1.038e-05 386 3.878e+10 1.009e-05 387 4.000e+10 9.462e-06 388 4.255e+10 8.373e-06 389 4.734e+10 6.892e-06 390 5.233e+10 6.157e-06 391 6.137e+10 5.495e-06 392 6.312e+10 5.646e-06 393 7.707e+10 8.725e-06 394 7.889e+10 8.813e-06 395 9.467e+10 8.750e-06 396 1.113e+11 8.673e-06 397 1.262e+11 8.671e-06 398 1.483e+11 8.652e-06 399 1.578e+11 8.684e-06 400 1.886e+11 8.661e-06 401 2.209e+11 8.671e-06 402 2.645e+11 8.673e-06 403 3.156e+11 8.676e-06 404 3.809e+11 8.697e-06 405 4.837e+11 8.679e-06 406 6.330e+11 8.686e-06 407 8.519e+11 8.697e-06 408 1.181e+12 8.707e-06 409 1.691e+12 8.719e-06 410 2.533e+12 8.729e-06 411 4.020e+12 8.737e-06 412 6.952e+12 8.740e-06 413 1.319e+13 8.741e-06 414 2.693e+13 8.741e-06 415 3.156e+13 8.742e-06 416 ANL-EBS-MD-000033 REV 00 ICN 1 VI-16 July 2000 Table VI-5. Listing for Data file “l4c4-LDTH60-1Dds_mc-ui-01.Lflux_3_4.dat” NUFT Version 3.0s (SUN/SOLARIS). Copyright (c) 1992. The NUFT code is copyrighted by the Regents of the University of California. All rights reserved. Operating System: SunOS s139.es.llnl.gov 5.5.1 Generic_103640-24 sun4u sparc SUNW,Ultra-2 C Compiler: CC: WorkShop Compilers 4.2 18 Sep 1997 C++ 4.2 patch 104631-04 Fortran Compiler: f77: WorkShop Compilers 4.2 04 Mar 1997 FORTRAN 77 4.2 patch 104529-01 Run Date: Wed Nov 3 23:00:12 1999 *l4c4-LDTH60-1Dds_mc-ui-01* 1.0130000e+01mm_yr,lineload, AML=60mtu_acre,LDTH601Dds_mi $flux Q.water.liquid summed over connections time (s) flux (kg/s) (The columns of sequential numbers are time step indices added by the author for reference.) 1.578e+09 0.000e+00 1 1.578e+09 0.000e+00 2 1.578e+09 0.000e+00 3 1.578e+09 0.000e+00 4 1.578e+09 0.000e+00 5 1.578e+09 0.000e+00 6 1.578e+09 0.000e+00 7 1.578e+09 0.000e+00 8 1.578e+09 0.000e+00 9 1.578e+09 0.000e+00 10 1.578e+09 0.000e+00 11 1.578e+09 0.000e+00 12 1.578e+09 0.000e+00 13 1.578e+09 0.000e+00 14 1.578e+09 0.000e+00 15 1.578e+09 0.000e+00 16 1.579e+09 0.000e+00 17 1.579e+09 0.000e+00 18 1.579e+09 0.000e+00 19 1.579e+09 0.000e+00 20 1.580e+09 0.000e+00 21 1.580e+09 0.000e+00 22 1.580e+09 0.000e+00 23 1.581e+09 0.000e+00 24 1.581e+09 0.000e+00 25 1.582e+09 0.000e+00 26 1.583e+09 0.000e+00 27 1.583e+09 0.000e+00 28 1.584e+09 0.000e+00 29 1.585e+09 0.000e+00 30 1.587e+09 0.000e+00 31 1.588e+09 0.000e+00 32 1.590e+09 0.000e+00 33 1.592e+09 0.000e+00 34 1.593e+09 0.000e+00 35 1.594e+09 0.000e+00 36 1.595e+09 0.000e+00 37 1.595e+09 0.000e+00 38 1.596e+09 0.000e+00 39 1.596e+09 0.000e+00 40 1.597e+09 0.000e+00 41 1.598e+09 0.000e+00 42 1.599e+09 0.000e+00 43 1.600e+09 0.000e+00 44 1.600e+09 0.000e+00 45 1.601e+09 0.000e+00 46 1.601e+09 0.000e+00 47 1.602e+09 0.000e+00 48 1.603e+09 0.000e+00 49 1.603e+09 0.000e+00 50 1.604e+09 0.000e+00 51 1.604e+09 0.000e+00 52 1.604e+09 0.000e+00 53 1.605e+09 0.000e+00 54 1.605e+09 0.000e+00 55 1.606e+09 0.000e+00 56 1.606e+09 0.000e+00 57 1.607e+09 0.000e+00 58 1.608e+09 0.000e+00 59 1.609e+09 0.000e+00 60 1.610e+09 0.000e+00 61 1.610e+09 0.000e+00 62 1.610e+09 0.000e+00 63 1.611e+09 0.000e+00 64 1.611e+09 0.000e+00 65 1.612e+09 0.000e+00 66 1.613e+09 0.000e+00 67 1.614e+09 0.000e+00 68 1.615e+09 0.000e+00 69 1.616e+09 0.000e+00 70 1.617e+09 0.000e+00 71 1.618e+09 0.000e+00 72 1.620e+09 0.000e+00 73 1.622e+09 0.000e+00 74 1.624e+09 0.000e+00 75 1.625e+09 0.000e+00 76 1.626e+09 0.000e+00 77 1.628e+09 0.000e+00 78 1.628e+09 0.000e+00 79 1.629e+09 0.000e+00 80 1.629e+09 0.000e+00 81 1.630e+09 0.000e+00 82 1.631e+09 0.000e+00 83 1.633e+09 0.000e+00 84 1.635e+09 0.000e+00 85 1.637e+09 0.000e+00 86 1.641e+09 0.000e+00 87 1.642e+09 0.000e+00 88 1.643e+09 0.000e+00 89 1.645e+09 0.000e+00 90 1.647e+09 0.000e+00 91 1.649e+09 0.000e+00 92 1.651e+09 0.000e+00 93 1.653e+09 0.000e+00 94 1.654e+09 0.000e+00 95 1.655e+09 0.000e+00 96 1.657e+09 0.000e+00 97 1.658e+09 0.000e+00 98 1.660e+09 0.000e+00 99 1.663e+09 0.000e+00 100 1.666e+09 0.000e+00 101 1.669e+09 0.000e+00 102 1.672e+09 0.000e+00 103 1.677e+09 0.000e+00 104 1.682e+09 0.000e+00 105 1.687e+09 0.000e+00 106 1.692e+09 0.000e+00 107 1.698e+09 0.000e+00 108 1.704e+09 0.000e+00 109 1.710e+09 0.000e+00 110 1.716e+09 0.000e+00 111 1.722e+09 0.000e+00 112 1.726e+09 0.000e+00 113 1.730e+09 0.000e+00 114 1.736e+09 0.000e+00 115 ANL-EBS-MD-000033 REV 00 ICN 1 VI-17 July 2000 1.742e+09 0.000e+00 116 1.749e+09 0.000e+00 117 1.753e+09 0.000e+00 118 1.757e+09 0.000e+00 119 1.762e+09 0.000e+00 120 1.768e+09 0.000e+00 121 1.775e+09 0.000e+00 122 1.782e+09 0.000e+00 123 1.786e+09 0.000e+00 124 1.789e+09 0.000e+00 125 1.792e+09 0.000e+00 126 1.796e+09 0.000e+00 127 1.801e+09 0.000e+00 128 1.807e+09 0.000e+00 129 1.813e+09 0.000e+00 130 1.818e+09 0.000e+00 131 1.826e+09 0.000e+00 132 1.835e+09 0.000e+00 133 1.842e+09 0.000e+00 134 1.846e+09 0.000e+00 135 1.850e+09 0.000e+00 136 1.854e+09 0.000e+00 137 1.859e+09 0.000e+00 138 1.866e+09 0.000e+00 139 1.874e+09 0.000e+00 140 1.883e+09 0.000e+00 141 1.890e+09 0.000e+00 142 1.893e+09 0.000e+00 143 1.896e+09 0.000e+00 144 1.900e+09 0.000e+00 145 1.906e+09 0.000e+00 146 1.915e+09 0.000e+00 147 1.927e+09 0.000e+00 148 1.940e+09 0.000e+00 149 1.954e+09 0.000e+00 150 1.960e+09 0.000e+00 151 1.966e+09 0.000e+00 152 1.975e+09 0.000e+00 153 1.986e+09 0.000e+00 154 2.002e+09 0.000e+00 155 2.017e+09 0.000e+00 156 2.029e+09 0.000e+00 157 2.041e+09 0.000e+00 158 2.054e+09 0.000e+00 159 2.074e+09 0.000e+00 160 2.082e+09 0.000e+00 161 2.091e+09 0.000e+00 162 2.102e+09 0.000e+00 163 2.117e+09 0.000e+00 164 2.142e+09 0.000e+00 165 2.175e+09 0.000e+00 166 2.215e+09 0.000e+00 167 2.271e+09 0.000e+00 168 2.341e+09 0.000e+00 169 2.346e+09 0.000e+00 170 2.352e+09 0.000e+00 171 2.364e+09 0.000e+00 172 2.388e+09 0.000e+00 173 2.432e+09 0.000e+00 174 2.507e+09 0.000e+00 175 2.512e+09 0.000e+00 176 2.517e+09 0.000e+00 177 2.527e+09 0.000e+00 178 2.549e+09 0.000e+00 179 2.592e+09 0.000e+00 180 2.604e+09 0.000e+00 181 2.617e+09 0.000e+00 182 2.643e+09 0.000e+00 183 2.694e+09 0.000e+00 184 2.722e+09 0.000e+00 185 2.749e+09 0.000e+00 186 2.803e+09 0.000e+00 187 2.897e+09 0.000e+00 188 3.037e+09 0.000e+00 189 3.156e+09 0.000e+00 190 3.338e+09 0.000e+00 191 3.600e+09 0.000e+00 192 3.931e+09 0.000e+00 193 4.299e+09 0.000e+00 194 4.581e+09 0.000e+00 195 4.864e+09 0.000e+00 196 5.232e+09 0.000e+00 197 5.759e+09 0.000e+00 198 5.954e+09 0.000e+00 199 6.052e+09 0.000e+00 200 6.150e+09 0.000e+00 201 6.312e+09 0.000e+00 202 6.503e+09 0.000e+00 203 6.867e+09 0.000e+00 204 7.485e+09 0.000e+00 205 7.935e+09 0.000e+00 206 8.047e+09 0.000e+00 207 8.160e+09 0.000e+00 208 8.392e+09 0.000e+00 209 8.838e+09 0.000e+00 210 9.302e+09 0.000e+00 211 9.467e+09 0.000e+00 212 9.931e+09 0.000e+00 213 1.020e+10 0.000e+00 214 1.046e+10 0.000e+00 215 1.065e+10 0.000e+00 216 1.084e+10 0.000e+00 217 1.102e+10 0.000e+00 218 1.121e+10 0.000e+00 219 1.155e+10 0.000e+00 220 1.206e+10 0.000e+00 221 1.231e+10 0.000e+00 222 1.256e+10 0.000e+00 223 1.262e+10 0.000e+00 224 1.313e+10 0.000e+00 225 1.321e+10 0.000e+00 226 1.330e+10 0.000e+00 227 1.348e+10 0.000e+00 228 1.372e+10 0.000e+00 229 1.396e+10 0.000e+00 230 1.440e+10 0.000e+00 231 1.452e+10 0.000e+00 232 1.465e+10 0.000e+00 233 1.477e+10 0.000e+00 234 1.489e+10 0.000e+00 235 1.514e+10 0.000e+00 236 1.546e+10 0.000e+00 237 1.578e+10 0.000e+00 238 1.594e+10 0.000e+00 239 1.611e+10 0.000e+00 240 1.628e+10 0.000e+00 241 1.645e+10 0.000e+00 242 1.663e+10 0.000e+00 243 1.681e+10 0.000e+00 244 1.700e+10 0.000e+00 245 1.718e+10 0.000e+00 246 1.751e+10 0.000e+00 247 1.802e+10 0.000e+00 248 1.853e+10 0.000e+00 249 1.882e+10 0.000e+00 250 1.910e+10 0.000e+00 251 1.913e+10 0.000e+00 252 1.915e+10 0.000e+00 253 1.920e+10 0.000e+00 254 1.931e+10 0.000e+00 255 1.935e+10 0.000e+00 256 1.939e+10 0.000e+00 257 1.948e+10 0.000e+00 258 1.953e+10 0.000e+00 259 1.958e+10 0.000e+00 260 1.963e+10 0.000e+00 261 1.968e+10 0.000e+00 262 1.978e+10 0.000e+00 263 1.986e+10 0.000e+00 264 1.993e+10 0.000e+00 265 2.002e+10 0.000e+00 266 2.009e+10 0.000e+00 267 2.016e+10 0.000e+00 268 2.030e+10 0.000e+00 269 2.040e+10 0.000e+00 270 2.051e+10 0.000e+00 271 2.071e+10 0.000e+00 272 2.074e+10 0.000e+00 273 2.077e+10 0.000e+00 274 2.084e+10 0.000e+00 275 2.086e+10 0.000e+00 276 2.088e+10 0.000e+00 277 2.094e+10 0.000e+00 278 2.099e+10 0.000e+00 279 2.103e+10 0.000e+00 280 2.114e+10 0.000e+00 281 2.125e+10 0.000e+00 282 2.136e+10 0.000e+00 283 2.145e+10 0.000e+00 284 2.154e+10 0.000e+00 285 2.173e+10 0.000e+00 286 2.209e+10 0.000e+00 287 2.247e+10 0.000e+00 288 2.320e+10 0.000e+00 289 2.377e+10 0.000e+00 290 2.433e+10 0.000e+00 291 2.467e+10 0.000e+00 292 2.501e+10 0.000e+00 293 2.516e+10 0.000e+00 294 2.524e+10 0.000e+00 295 2.532e+10 0.000e+00 296 2.536e+10 0.000e+00 297 2.541e+10 0.000e+00 298 2.550e+10 0.000e+00 299 2.565e+10 0.000e+00 300 2.573e+10 0.000e+00 301 2.580e+10 0.000e+00 302 2.596e+10 0.000e+00 303 2.630e+10 0.000e+00 304 ANL-EBS-MD-000033 REV 00 ICN 1 VI-18 July 2000 2.663e+10 0.000e+00 305 2.695e+10 0.000e+00 306 2.757e+10 0.000e+00 307 2.803e+10 0.000e+00 308 2.849e+10 0.000e+00 309 2.873e+10 0.000e+00 310 2.897e+10 0.000e+00 311 2.944e+10 4.265e-09 312 2.985e+10 1.940e-07 313 3.026e+10 5.866e-07 314 3.054e+10 9.426e-07 315 3.082e+10 1.573e-06 316 3.121e+10 3.074e-06 317 3.156e+10 4.773e-06 318 3.173e+10 5.512e-06 319 3.182e+10 5.858e-06 320 3.191e+10 6.209e-06 321 3.209e+10 6.868e-06 322 3.238e+10 8.018e-06 323 3.279e+10 9.821e-06 324 3.316e+10 1.051e-05 325 3.353e+10 1.005e-05 326 3.371e+10 9.830e-06 327 3.388e+10 9.678e-06 328 3.423e+10 9.349e-06 329 3.450e+10 9.242e-06 330 3.464e+10 9.191e-06 331 3.478e+10 9.209e-06 332 3.488e+10 8.957e-06 333 3.498e+10 8.866e-06 334 3.501e+10 8.848e-06 335 3.503e+10 8.834e-06 336 3.509e+10 8.790e-06 337 3.516e+10 8.745e-06 338 3.523e+10 8.703e-06 339 3.537e+10 8.607e-06 340 3.549e+10 8.565e-06 341 3.561e+10 8.522e-06 342 3.573e+10 8.472e-06 343 3.576e+10 8.432e-06 344 3.579e+10 8.400e-06 345 3.586e+10 8.343e-06 346 3.593e+10 8.282e-06 347 3.600e+10 8.253e-06 348 3.615e+10 8.192e-06 349 3.642e+10 8.103e-06 350 3.657e+10 7.987e-06 351 3.671e+10 7.913e-06 352 3.702e+10 8.026e-06 353 3.702e+10 8.077e-06 354 3.702e+10 8.065e-06 355 3.702e+10 8.018e-06 356 3.702e+10 7.942e-06 357 3.702e+10 7.902e-06 358 3.702e+10 7.910e-06 359 3.702e+10 7.912e-06 360 3.703e+10 7.899e-06 361 3.703e+10 7.888e-06 362 3.704e+10 7.883e-06 363 3.704e+10 7.879e-06 364 3.704e+10 7.879e-06 365 3.704e+10 7.878e-06 366 3.704e+10 7.878e-06 367 3.704e+10 7.878e-06 368 3.704e+10 7.878e-06 369 3.704e+10 7.877e-06 370 3.704e+10 7.877e-06 371 3.704e+10 7.877e-06 372 3.704e+10 7.877e-06 373 3.704e+10 7.877e-06 374 3.704e+10 7.877e-06 375 3.704e+10 7.877e-06 376 3.704e+10 7.876e-06 377 3.704e+10 7.873e-06 378 3.705e+10 7.867e-06 379 3.706e+10 7.858e-06 380 3.710e+10 7.847e-06 381 3.717e+10 7.819e-06 382 3.733e+10 7.732e-06 383 3.768e+10 7.535e-06 384 3.794e+10 7.516e-06 385 3.821e+10 7.492e-06 386 3.878e+10 7.439e-06 387 4.000e+10 7.317e-06 388 4.255e+10 7.009e-06 389 4.734e+10 6.210e-06 390 5.233e+10 5.721e-06 391 6.137e+10 4.760e-06 392 6.312e+10 4.575e-06 393 7.707e+10 4.714e-06 394 7.889e+10 4.681e-06 395 9.467e+10 4.121e-06 396 1.113e+11 3.813e-06 397 1.262e+11 3.608e-06 398 1.483e+11 3.372e-06 399 1.578e+11 3.352e-06 400 1.886e+11 3.245e-06 401 2.209e+11 3.053e-06 402 2.645e+11 2.987e-06 403 3.156e+11 2.969e-06 404 3.809e+11 2.943e-06 405 4.837e+11 2.910e-06 406 6.330e+11 2.872e-06 407 8.519e+11 2.845e-06 408 1.181e+12 2.826e-06 409 1.691e+12 2.815e-06 410 2.533e+12 2.809e-06 411 4.020e+12 2.807e-06 412 6.952e+12 2.806e-06 413 1.319e+13 2.806e-06 414 2.693e+13 2.805e-06 415 3.156e+13 2.805e-06 416 ANL-EBS-MD-000033 REV 00 ICN 1 VI-19 July 2000 Table VI-6. Listing for Data file “l4c4-LDTH60-1Dds_mc-ui-01.Lflux_3_5.dat” NUFT Version 3.0s (SUN/SOLARIS). Copyright (c) 1992. The NUFT code is copyrighted by the Regents of the University of California. All rights reserved. Operating System: SunOS s139.es.llnl.gov 5.5.1 Generic_103640-24 sun4u sparc SUNW,Ultra-2 C Compiler: CC: WorkShop Compilers 4.2 18 Sep 1997 C++ 4.2 patch 104631-04 Fortran Compiler: f77: WorkShop Compilers 4.2 04 Mar 1997 FORTRAN 77 4.2 patch 104529-01 Run Date: Wed Nov 3 23:00:12 1999 *l4c4-LDTH60-1Dds_mc-ui-01* 1.0130000e+01mm_yr,lineload, AML=60mtu_acre,LDTH601Dds_mi $flux Q.water.liquid summed over connections time (s) flux (kg/s) (The columns of sequential numbers are time step indices added by the author for reference.) 1.578e+09 0.000e+00 1 1.578e+09 0.000e+00 2 1.578e+09 0.000e+00 3 1.578e+09 0.000e+00 4 1.578e+09 0.000e+00 5 1.578e+09 0.000e+00 6 1.578e+09 0.000e+00 7 1.578e+09 0.000e+00 8 1.578e+09 0.000e+00 9 1.578e+09 0.000e+00 10 1.578e+09 0.000e+00 11 1.578e+09 0.000e+00 12 1.578e+09 0.000e+00 13 1.578e+09 0.000e+00 14 1.578e+09 0.000e+00 15 1.578e+09 0.000e+00 16 1.579e+09 0.000e+00 17 1.579e+09 0.000e+00 18 1.579e+09 0.000e+00 19 1.579e+09 0.000e+00 20 1.580e+09 0.000e+00 21 1.580e+09 0.000e+00 22 1.580e+09 0.000e+00 23 1.581e+09 0.000e+00 24 1.581e+09 0.000e+00 25 1.582e+09 0.000e+00 26 1.583e+09 0.000e+00 27 1.583e+09 0.000e+00 28 1.584e+09 0.000e+00 29 1.585e+09 0.000e+00 30 1.587e+09 0.000e+00 31 1.588e+09 0.000e+00 32 1.590e+09 0.000e+00 33 1.592e+09 0.000e+00 34 1.593e+09 0.000e+00 35 1.594e+09 0.000e+00 36 1.595e+09 0.000e+00 37 1.595e+09 0.000e+00 38 1.596e+09 0.000e+00 39 1.596e+09 0.000e+00 40 1.597e+09 0.000e+00 41 1.598e+09 0.000e+00 42 1.599e+09 0.000e+00 43 1.600e+09 0.000e+00 44 1.600e+09 0.000e+00 45 1.601e+09 0.000e+00 46 1.601e+09 0.000e+00 47 1.602e+09 0.000e+00 48 1.603e+09 0.000e+00 49 1.603e+09 0.000e+00 50 1.604e+09 0.000e+00 51 1.604e+09 0.000e+00 52 1.604e+09 0.000e+00 53 1.605e+09 0.000e+00 54 1.605e+09 0.000e+00 55 1.606e+09 0.000e+00 56 1.606e+09 0.000e+00 57 1.607e+09 0.000e+00 58 1.608e+09 0.000e+00 59 1.609e+09 0.000e+00 60 1.610e+09 0.000e+00 61 1.610e+09 0.000e+00 62 1.610e+09 0.000e+00 63 1.611e+09 0.000e+00 64 1.611e+09 0.000e+00 65 1.612e+09 0.000e+00 66 1.613e+09 0.000e+00 67 1.614e+09 0.000e+00 68 1.615e+09 0.000e+00 69 1.616e+09 0.000e+00 70 1.617e+09 0.000e+00 71 1.618e+09 0.000e+00 72 1.620e+09 0.000e+00 73 1.622e+09 0.000e+00 74 1.624e+09 0.000e+00 75 1.625e+09 0.000e+00 76 1.626e+09 0.000e+00 77 1.628e+09 0.000e+00 78 1.628e+09 0.000e+00 79 1.629e+09 0.000e+00 80 1.629e+09 0.000e+00 81 1.630e+09 0.000e+00 82 1.631e+09 0.000e+00 83 1.633e+09 0.000e+00 84 1.635e+09 0.000e+00 85 1.637e+09 0.000e+00 86 1.641e+09 0.000e+00 87 1.642e+09 0.000e+00 88 1.643e+09 0.000e+00 89 1.645e+09 0.000e+00 90 1.647e+09 0.000e+00 91 1.649e+09 0.000e+00 92 1.651e+09 0.000e+00 93 1.653e+09 0.000e+00 94 1.654e+09 0.000e+00 95 1.655e+09 0.000e+00 96 1.657e+09 0.000e+00 97 1.658e+09 0.000e+00 98 1.660e+09 0.000e+00 99 1.663e+09 0.000e+00 100 1.666e+09 0.000e+00 101 1.669e+09 0.000e+00 102 1.672e+09 0.000e+00 103 1.677e+09 0.000e+00 104 1.682e+09 0.000e+00 105 1.687e+09 0.000e+00 106 1.692e+09 0.000e+00 107 1.698e+09 0.000e+00 108 1.704e+09 0.000e+00 109 ANL-EBS-MD-000033 REV 00 ICN 1 VI-20 July 2000 1.710e+09 0.000e+00 110 1.716e+09 0.000e+00 111 1.722e+09 0.000e+00 112 1.726e+09 0.000e+00 113 1.730e+09 0.000e+00 114 1.736e+09 0.000e+00 115 1.742e+09 0.000e+00 116 1.749e+09 0.000e+00 117 1.753e+09 0.000e+00 118 1.757e+09 0.000e+00 119 1.762e+09 0.000e+00 120 1.768e+09 0.000e+00 121 1.775e+09 0.000e+00 122 1.782e+09 0.000e+00 123 1.786e+09 0.000e+00 124 1.789e+09 0.000e+00 125 1.792e+09 0.000e+00 126 1.796e+09 0.000e+00 127 1.801e+09 0.000e+00 128 1.807e+09 0.000e+00 129 1.813e+09 0.000e+00 130 1.818e+09 0.000e+00 131 1.826e+09 0.000e+00 132 1.835e+09 0.000e+00 133 1.842e+09 0.000e+00 134 1.846e+09 0.000e+00 135 1.850e+09 0.000e+00 136 1.854e+09 0.000e+00 137 1.859e+09 0.000e+00 138 1.866e+09 0.000e+00 139 1.874e+09 0.000e+00 140 1.883e+09 0.000e+00 141 1.890e+09 0.000e+00 142 1.893e+09 0.000e+00 143 1.896e+09 0.000e+00 144 1.900e+09 0.000e+00 145 1.906e+09 0.000e+00 146 1.915e+09 0.000e+00 147 1.927e+09 0.000e+00 148 1.940e+09 0.000e+00 149 1.954e+09 0.000e+00 150 1.960e+09 0.000e+00 151 1.966e+09 0.000e+00 152 1.975e+09 0.000e+00 153 1.986e+09 0.000e+00 154 2.002e+09 0.000e+00 155 2.017e+09 0.000e+00 156 2.029e+09 0.000e+00 157 2.041e+09 0.000e+00 158 2.054e+09 0.000e+00 159 2.074e+09 0.000e+00 160 2.082e+09 0.000e+00 161 2.091e+09 0.000e+00 162 2.102e+09 0.000e+00 163 2.117e+09 0.000e+00 164 2.142e+09 0.000e+00 165 2.175e+09 0.000e+00 166 2.215e+09 0.000e+00 167 2.271e+09 0.000e+00 168 2.341e+09 0.000e+00 169 2.346e+09 0.000e+00 170 2.352e+09 0.000e+00 171 2.364e+09 0.000e+00 172 2.388e+09 0.000e+00 173 2.432e+09 0.000e+00 174 2.507e+09 0.000e+00 175 2.512e+09 0.000e+00 176 2.517e+09 0.000e+00 177 2.527e+09 0.000e+00 178 2.549e+09 0.000e+00 179 2.592e+09 0.000e+00 180 2.604e+09 0.000e+00 181 2.617e+09 0.000e+00 182 2.643e+09 0.000e+00 183 2.694e+09 0.000e+00 184 2.722e+09 0.000e+00 185 2.749e+09 0.000e+00 186 2.803e+09 0.000e+00 187 2.897e+09 0.000e+00 188 3.037e+09 0.000e+00 189 3.156e+09 0.000e+00 190 3.338e+09 0.000e+00 191 3.600e+09 0.000e+00 192 3.931e+09 0.000e+00 193 4.299e+09 0.000e+00 194 4.581e+09 0.000e+00 195 4.864e+09 0.000e+00 196 5.232e+09 0.000e+00 197 5.759e+09 0.000e+00 198 5.954e+09 0.000e+00 199 6.052e+09 0.000e+00 200 6.150e+09 0.000e+00 201 6.312e+09 0.000e+00 202 6.503e+09 0.000e+00 203 6.867e+09 0.000e+00 204 7.485e+09 0.000e+00 205 7.935e+09 0.000e+00 206 8.047e+09 0.000e+00 207 8.160e+09 0.000e+00 208 8.392e+09 0.000e+00 209 8.838e+09 0.000e+00 210 9.302e+09 0.000e+00 211 9.467e+09 0.000e+00 212 9.931e+09 0.000e+00 213 1.020e+10 0.000e+00 214 1.046e+10 0.000e+00 215 1.065e+10 0.000e+00 216 1.084e+10 0.000e+00 217 1.102e+10 0.000e+00 218 1.121e+10 0.000e+00 219 1.155e+10 0.000e+00 220 1.206e+10 0.000e+00 221 1.231e+10 0.000e+00 222 1.256e+10 0.000e+00 223 1.262e+10 0.000e+00 224 1.313e+10 0.000e+00 225 1.321e+10 0.000e+00 226 1.330e+10 0.000e+00 227 1.348e+10 0.000e+00 228 1.372e+10 0.000e+00 229 1.396e+10 0.000e+00 230 1.440e+10 0.000e+00 231 1.452e+10 0.000e+00 232 1.465e+10 0.000e+00 233 1.477e+10 0.000e+00 234 1.489e+10 0.000e+00 235 1.514e+10 0.000e+00 236 1.546e+10 0.000e+00 237 1.578e+10 0.000e+00 238 1.594e+10 0.000e+00 239 1.611e+10 0.000e+00 240 1.628e+10 0.000e+00 241 1.645e+10 0.000e+00 242 1.663e+10 0.000e+00 243 1.681e+10 0.000e+00 244 1.700e+10 0.000e+00 245 1.718e+10 0.000e+00 246 1.751e+10 0.000e+00 247 1.802e+10 0.000e+00 248 1.853e+10 0.000e+00 249 1.882e+10 0.000e+00 250 1.910e+10 0.000e+00 251 1.913e+10 0.000e+00 252 1.915e+10 0.000e+00 253 1.920e+10 0.000e+00 254 1.931e+10 0.000e+00 255 1.935e+10 0.000e+00 256 1.939e+10 0.000e+00 257 1.948e+10 0.000e+00 258 1.953e+10 0.000e+00 259 1.958e+10 0.000e+00 260 1.963e+10 0.000e+00 261 1.968e+10 0.000e+00 262 1.978e+10 0.000e+00 263 1.986e+10 0.000e+00 264 1.993e+10 0.000e+00 265 2.002e+10 0.000e+00 266 2.009e+10 0.000e+00 267 2.016e+10 0.000e+00 268 2.030e+10 0.000e+00 269 2.040e+10 0.000e+00 270 2.051e+10 0.000e+00 271 2.071e+10 0.000e+00 272 2.074e+10 0.000e+00 273 2.077e+10 0.000e+00 274 2.084e+10 0.000e+00 275 2.086e+10 0.000e+00 276 2.088e+10 0.000e+00 277 2.094e+10 0.000e+00 278 2.099e+10 0.000e+00 279 2.103e+10 0.000e+00 280 2.114e+10 0.000e+00 281 2.125e+10 0.000e+00 282 2.136e+10 0.000e+00 283 2.145e+10 0.000e+00 284 2.154e+10 0.000e+00 285 2.173e+10 0.000e+00 286 2.209e+10 0.000e+00 287 2.247e+10 0.000e+00 288 2.320e+10 0.000e+00 289 2.377e+10 0.000e+00 290 2.433e+10 0.000e+00 291 2.467e+10 0.000e+00 292 2.501e+10 0.000e+00 293 2.516e+10 0.000e+00 294 2.524e+10 0.000e+00 295 2.532e+10 0.000e+00 296 2.536e+10 0.000e+00 297 2.541e+10 0.000e+00 298 ANL-EBS-MD-000033 REV 00 ICN 1 VI-21 July 2000 2.550e+10 0.000e+00 299 2.565e+10 0.000e+00 300 2.573e+10 0.000e+00 301 2.580e+10 0.000e+00 302 2.596e+10 0.000e+00 303 2.630e+10 0.000e+00 304 2.663e+10 0.000e+00 305 2.695e+10 0.000e+00 306 2.757e+10 0.000e+00 307 2.803e+10 0.000e+00 308 2.849e+10 2.165e-13 309 2.873e+10 2.676e-08 310 2.897e+10 6.039e-08 311 2.944e+10 1.849e-07 312 2.985e+10 3.058e-07 313 3.026e+10 4.519e-07 314 3.054e+10 7.236e-07 315 3.082e+10 1.001e-06 316 3.121e+10 1.000e-06 317 3.156e+10 1.039e-06 318 3.173e+10 1.084e-06 319 3.182e+10 1.107e-06 320 3.191e+10 1.131e-06 321 3.209e+10 1.180e-06 322 3.238e+10 1.223e-06 323 3.279e+10 1.001e-06 324 3.316e+10 1.203e-06 325 3.353e+10 1.784e-06 326 3.371e+10 2.040e-06 327 3.388e+10 2.243e-06 328 3.423e+10 2.662e-06 329 3.450e+10 2.864e-06 330 3.464e+10 2.955e-06 331 3.478e+10 2.900e-06 332 3.488e+10 3.214e-06 333 3.498e+10 3.335e-06 334 3.501e+10 3.358e-06 335 3.503e+10 3.384e-06 336 3.509e+10 3.439e-06 337 3.516e+10 3.495e-06 338 3.523e+10 3.548e-06 339 3.537e+10 3.662e-06 340 3.549e+10 3.705e-06 341 3.561e+10 3.767e-06 342 3.573e+10 3.816e-06 343 3.576e+10 3.862e-06 344 3.579e+10 3.896e-06 345 3.586e+10 3.953e-06 346 3.593e+10 4.012e-06 347 3.600e+10 4.049e-06 348 3.615e+10 4.116e-06 349 3.642e+10 4.212e-06 350 3.657e+10 4.289e-06 351 3.671e+10 4.347e-06 352 3.702e+10 4.333e-06 353 3.702e+10 4.299e-06 354 3.702e+10 4.301e-06 355 3.702e+10 4.302e-06 356 3.702e+10 4.304e-06 357 3.702e+10 4.300e-06 358 3.702e+10 4.299e-06 359 3.702e+10 4.305e-06 360 3.703e+10 4.330e-06 361 3.703e+10 4.350e-06 362 3.704e+10 4.361e-06 363 3.704e+10 4.369e-06 364 3.704e+10 4.374e-06 365 3.704e+10 4.371e-06 366 3.704e+10 4.371e-06 367 3.704e+10 4.372e-06 368 3.704e+10 4.372e-06 369 3.704e+10 4.372e-06 370 3.704e+10 4.372e-06 371 3.704e+10 4.372e-06 372 3.704e+10 4.373e-06 373 3.704e+10 4.373e-06 374 3.704e+10 4.375e-06 375 3.704e+10 4.377e-06 376 3.704e+10 4.382e-06 377 3.704e+10 4.389e-06 378 3.705e+10 4.400e-06 379 3.706e+10 4.414e-06 380 3.710e+10 4.428e-06 381 3.717e+10 4.447e-06 382 3.733e+10 4.497e-06 383 3.768e+10 4.604e-06 384 3.794e+10 4.595e-06 385 3.821e+10 4.593e-06 386 3.878e+10 4.575e-06 387 4.000e+10 4.510e-06 388 4.255e+10 4.337e-06 389 4.734e+10 4.060e-06 390 5.233e+10 3.902e-06 391 6.137e+10 3.734e-06 392 6.312e+10 3.746e-06 393 7.707e+10 5.971e-06 394 7.889e+10 6.039e-06 395 9.467e+10 6.004e-06 396 1.113e+11 5.949e-06 397 1.262e+11 5.949e-06 398 1.483e+11 5.927e-06 399 1.578e+11 5.930e-06 400 1.886e+11 5.905e-06 401 2.209e+11 5.902e-06 402 2.645e+11 5.896e-06 403 3.156e+11 5.895e-06 404 3.809e+11 5.907e-06 405 4.837e+11 5.890e-06 406 6.330e+11 5.893e-06 407 8.519e+11 5.899e-06 408 1.181e+12 5.907e-06 409 1.691e+12 5.919e-06 410 2.533e+12 5.928e-06 411 4.020e+12 5.936e-06 412 6.952e+12 5.939e-06 413 1.319e+13 5.939e-06 414 2.693e+13 5.940e-06 415 3.156e+13 5.940e-06 416 ANL-EBS-MD-000033 REV 00 ICN 1 VI-22 July 2000 Table VI-7. Listing for Data file “l4c4-LDTH60-1Dds_mc-ui-01.Lflux_4_5.dat” NUFT Version 3.0s (SUN/SOLARIS). Copyright (c) 1992. The NUFT code is copyrighted by the Regents of the University of California. All rights reserved. Operating System: SunOS s139.es.llnl.gov 5.5.1 Generic_103640-24 sun4u sparc SUNW,Ultra-2 C Compiler: CC: WorkShop Compilers 4.2 18 Sep 1997 C++ 4.2 patch 104631-04 Fortran Compiler: f77: WorkShop Compilers 4.2 04 Mar 1997 FORTRAN 77 4.2 patch 104529-01 Run Date: Wed Nov 3 23:00:12 1999 *l4c4-LDTH60-1Dds_mc-ui-01* 1.0130000e+01mm_yr,lineload, AML=60mtu_acre,LDTH601Dds_mi $flux Q.water.liquid summed over connections time (s) flux (kg/s) (The columns of sequential numbers are time step indices added by the author for reference.) 1.578e+09 0.000e+00 1 1.578e+09 0.000e+00 2 1.578e+09 0.000e+00 3 1.578e+09 0.000e+00 4 1.578e+09 0.000e+00 5 1.578e+09 0.000e+00 6 1.578e+09 0.000e+00 7 1.578e+09 0.000e+00 8 1.578e+09 0.000e+00 9 1.578e+09 0.000e+00 10 1.578e+09 0.000e+00 11 1.578e+09 0.000e+00 12 1.578e+09 0.000e+00 13 1.578e+09 0.000e+00 14 1.578e+09 0.000e+00 15 1.578e+09 0.000e+00 16 1.579e+09 0.000e+00 17 1.579e+09 0.000e+00 18 1.579e+09 0.000e+00 19 1.579e+09 0.000e+00 20 1.580e+09 0.000e+00 21 1.580e+09 0.000e+00 22 1.580e+09 0.000e+00 23 1.581e+09 0.000e+00 24 1.581e+09 0.000e+00 25 1.582e+09 0.000e+00 26 1.583e+09 0.000e+00 27 1.583e+09 0.000e+00 28 1.584e+09 0.000e+00 29 1.585e+09 0.000e+00 30 1.587e+09 0.000e+00 31 1.588e+09 0.000e+00 32 1.590e+09 0.000e+00 33 1.592e+09 0.000e+00 34 1.593e+09 0.000e+00 35 1.594e+09 0.000e+00 36 1.595e+09 0.000e+00 37 1.595e+09 0.000e+00 38 1.596e+09 0.000e+00 39 1.596e+09 0.000e+00 40 1.597e+09 0.000e+00 41 1.598e+09 0.000e+00 42 1.599e+09 0.000e+00 43 1.600e+09 0.000e+00 44 1.600e+09 0.000e+00 45 1.601e+09 0.000e+00 46 1.601e+09 0.000e+00 47 1.602e+09 0.000e+00 48 1.603e+09 0.000e+00 49 1.603e+09 0.000e+00 50 1.604e+09 0.000e+00 51 1.604e+09 0.000e+00 52 1.604e+09 0.000e+00 53 1.605e+09 0.000e+00 54 1.605e+09 0.000e+00 55 1.606e+09 0.000e+00 56 1.606e+09 0.000e+00 57 1.607e+09 0.000e+00 58 1.608e+09 0.000e+00 59 1.609e+09 0.000e+00 60 1.610e+09 0.000e+00 61 1.610e+09 0.000e+00 62 1.610e+09 0.000e+00 63 1.611e+09 0.000e+00 64 1.611e+09 0.000e+00 65 1.612e+09 0.000e+00 66 1.613e+09 0.000e+00 67 1.614e+09 0.000e+00 68 1.615e+09 0.000e+00 69 1.616e+09 0.000e+00 70 1.617e+09 0.000e+00 71 1.618e+09 0.000e+00 72 1.620e+09 0.000e+00 73 1.622e+09 0.000e+00 74 1.624e+09 0.000e+00 75 1.625e+09 0.000e+00 76 1.626e+09 0.000e+00 77 1.628e+09 0.000e+00 78 1.628e+09 0.000e+00 79 1.629e+09 0.000e+00 80 1.629e+09 0.000e+00 81 1.630e+09 0.000e+00 82 1.631e+09 0.000e+00 83 1.633e+09 0.000e+00 84 1.635e+09 0.000e+00 85 1.637e+09 0.000e+00 86 1.641e+09 0.000e+00 87 1.642e+09 0.000e+00 88 1.643e+09 0.000e+00 89 1.645e+09 0.000e+00 90 1.647e+09 0.000e+00 91 1.649e+09 0.000e+00 92 1.651e+09 0.000e+00 93 1.653e+09 0.000e+00 94 1.654e+09 0.000e+00 95 1.655e+09 0.000e+00 96 1.657e+09 0.000e+00 97 1.658e+09 0.000e+00 98 1.660e+09 0.000e+00 99 1.663e+09 0.000e+00 100 1.666e+09 0.000e+00 101 1.669e+09 0.000e+00 102 1.672e+09 0.000e+00 103 1.677e+09 0.000e+00 104 1.682e+09 0.000e+00 105 1.687e+09 0.000e+00 106 1.692e+09 0.000e+00 107 1.698e+09 0.000e+00 108 1.704e+09 0.000e+00 109 1.710e+09 0.000e+00 110 1.716e+09 0.000e+00 111 1.722e+09 0.000e+00 112 1.726e+09 0.000e+00 113 1.730e+09 0.000e+00 114 1.736e+09 0.000e+00 115 1.742e+09 0.000e+00 116 1.749e+09 0.000e+00 117 ANL-EBS-MD-000033 REV 00 ICN 1 VI-23 July 2000 1.753e+09 0.000e+00 118 1.757e+09 0.000e+00 119 1.762e+09 0.000e+00 120 1.768e+09 0.000e+00 121 1.775e+09 0.000e+00 122 1.782e+09 0.000e+00 123 1.786e+09 0.000e+00 124 1.789e+09 0.000e+00 125 1.792e+09 0.000e+00 126 1.796e+09 0.000e+00 127 1.801e+09 0.000e+00 128 1.807e+09 0.000e+00 129 1.813e+09 0.000e+00 130 1.818e+09 0.000e+00 131 1.826e+09 0.000e+00 132 1.835e+09 0.000e+00 133 1.842e+09 0.000e+00 134 1.846e+09 0.000e+00 135 1.850e+09 0.000e+00 136 1.854e+09 0.000e+00 137 1.859e+09 0.000e+00 138 1.866e+09 0.000e+00 139 1.874e+09 0.000e+00 140 1.883e+09 0.000e+00 141 1.890e+09 0.000e+00 142 1.893e+09 0.000e+00 143 1.896e+09 0.000e+00 144 1.900e+09 0.000e+00 145 1.906e+09 0.000e+00 146 1.915e+09 0.000e+00 147 1.927e+09 0.000e+00 148 1.940e+09 0.000e+00 149 1.954e+09 0.000e+00 150 1.960e+09 0.000e+00 151 1.966e+09 0.000e+00 152 1.975e+09 0.000e+00 153 1.986e+09 0.000e+00 154 2.002e+09 0.000e+00 155 2.017e+09 0.000e+00 156 2.029e+09 0.000e+00 157 2.041e+09 0.000e+00 158 2.054e+09 0.000e+00 159 2.074e+09 0.000e+00 160 2.082e+09 0.000e+00 161 2.091e+09 0.000e+00 162 2.102e+09 0.000e+00 163 2.117e+09 0.000e+00 164 2.142e+09 0.000e+00 165 2.175e+09 0.000e+00 166 2.215e+09 0.000e+00 167 2.271e+09 0.000e+00 168 2.341e+09 0.000e+00 169 2.346e+09 0.000e+00 170 2.352e+09 0.000e+00 171 2.364e+09 0.000e+00 172 2.388e+09 0.000e+00 173 2.432e+09 0.000e+00 174 2.507e+09 0.000e+00 175 2.512e+09 0.000e+00 176 2.517e+09 0.000e+00 177 2.527e+09 0.000e+00 178 2.549e+09 0.000e+00 179 2.592e+09 0.000e+00 180 2.604e+09 0.000e+00 181 2.617e+09 0.000e+00 182 2.643e+09 0.000e+00 183 2.694e+09 0.000e+00 184 2.722e+09 0.000e+00 185 2.749e+09 0.000e+00 186 2.803e+09 0.000e+00 187 2.897e+09 0.000e+00 188 3.037e+09 0.000e+00 189 3.156e+09 0.000e+00 190 3.338e+09 0.000e+00 191 3.600e+09 0.000e+00 192 3.931e+09 0.000e+00 193 4.299e+09 0.000e+00 194 4.581e+09 0.000e+00 195 4.864e+09 0.000e+00 196 5.232e+09 0.000e+00 197 5.759e+09 0.000e+00 198 5.954e+09 0.000e+00 199 6.052e+09 0.000e+00 200 6.150e+09 0.000e+00 201 6.312e+09 0.000e+00 202 6.503e+09 0.000e+00 203 6.867e+09 0.000e+00 204 7.485e+09 0.000e+00 205 7.935e+09 0.000e+00 206 8.047e+09 0.000e+00 207 8.160e+09 0.000e+00 208 8.392e+09 0.000e+00 209 8.838e+09 0.000e+00 210 9.302e+09 0.000e+00 211 9.467e+09 0.000e+00 212 9.931e+09 0.000e+00 213 1.020e+10 0.000e+00 214 1.046e+10 0.000e+00 215 1.065e+10 0.000e+00 216 1.084e+10 0.000e+00 217 1.102e+10 0.000e+00 218 1.121e+10 0.000e+00 219 1.155e+10 0.000e+00 220 1.206e+10 0.000e+00 221 1.231e+10 0.000e+00 222 1.256e+10 0.000e+00 223 1.262e+10 0.000e+00 224 1.313e+10 0.000e+00 225 1.321e+10 0.000e+00 226 1.330e+10 0.000e+00 227 1.348e+10 0.000e+00 228 1.372e+10 0.000e+00 229 1.396e+10 0.000e+00 230 1.440e+10 0.000e+00 231 1.452e+10 0.000e+00 232 1.465e+10 0.000e+00 233 1.477e+10 0.000e+00 234 1.489e+10 0.000e+00 235 1.514e+10 0.000e+00 236 1.546e+10 0.000e+00 237 1.578e+10 0.000e+00 238 1.594e+10 0.000e+00 239 1.611e+10 0.000e+00 240 1.628e+10 0.000e+00 241 1.645e+10 0.000e+00 242 1.663e+10 0.000e+00 243 1.681e+10 0.000e+00 244 1.700e+10 0.000e+00 245 1.718e+10 0.000e+00 246 1.751e+10 0.000e+00 247 1.802e+10 0.000e+00 248 1.853e+10 0.000e+00 249 1.882e+10 0.000e+00 250 1.910e+10 0.000e+00 251 1.913e+10 0.000e+00 252 1.915e+10 0.000e+00 253 1.920e+10 0.000e+00 254 1.931e+10 0.000e+00 255 1.935e+10 0.000e+00 256 1.939e+10 0.000e+00 257 1.948e+10 0.000e+00 258 1.953e+10 0.000e+00 259 1.958e+10 0.000e+00 260 1.963e+10 0.000e+00 261 1.968e+10 0.000e+00 262 1.978e+10 0.000e+00 263 1.986e+10 0.000e+00 264 1.993e+10 0.000e+00 265 2.002e+10 0.000e+00 266 2.009e+10 0.000e+00 267 2.016e+10 0.000e+00 268 2.030e+10 0.000e+00 269 2.040e+10 0.000e+00 270 2.051e+10 0.000e+00 271 2.071e+10 0.000e+00 272 2.074e+10 0.000e+00 273 2.077e+10 0.000e+00 274 2.084e+10 0.000e+00 275 2.086e+10 0.000e+00 276 2.088e+10 0.000e+00 277 2.094e+10 0.000e+00 278 2.099e+10 0.000e+00 279 2.103e+10 0.000e+00 280 2.114e+10 0.000e+00 281 2.125e+10 0.000e+00 282 2.136e+10 0.000e+00 283 2.145e+10 0.000e+00 284 2.154e+10 0.000e+00 285 2.173e+10 0.000e+00 286 2.209e+10 0.000e+00 287 2.247e+10 0.000e+00 288 2.320e+10 0.000e+00 289 2.377e+10 0.000e+00 290 2.433e+10 0.000e+00 291 2.467e+10 0.000e+00 292 2.501e+10 0.000e+00 293 2.516e+10 0.000e+00 294 2.524e+10 0.000e+00 295 2.532e+10 0.000e+00 296 2.536e+10 0.000e+00 297 2.541e+10 0.000e+00 298 2.550e+10 0.000e+00 299 2.565e+10 0.000e+00 300 2.573e+10 0.000e+00 301 2.580e+10 0.000e+00 302 2.596e+10 0.000e+00 303 2.630e+10 0.000e+00 304 2.663e+10 0.000e+00 305 2.695e+10 0.000e+00 306 ANL-EBS-MD-000033 REV 00 ICN 1 VI-24 July 2000 2.757e+10 0.000e+00 307 2.803e+10 0.000e+00 308 2.849e+10 0.000e+00 309 2.873e+10 0.000e+00 310 2.897e+10 0.000e+00 311 2.944e+10 0.000e+00 312 2.985e+10 0.000e+00 313 3.026e+10 0.000e+00 314 3.054e+10 0.000e+00 315 3.082e+10 0.000e+00 316 3.121e+10 0.000e+00 317 3.156e+10 0.000e+00 318 3.173e+10 0.000e+00 319 3.182e+10 0.000e+00 320 3.191e+10 0.000e+00 321 3.209e+10 0.000e+00 322 3.238e+10 0.000e+00 323 3.279e+10 0.000e+00 324 3.316e+10 1.219e-09 325 3.353e+10 3.178e-07 326 3.371e+10 6.189e-07 327 3.388e+10 6.800e-07 328 3.423e+10 8.451e-07 329 3.450e+10 8.614e-07 330 3.464e+10 8.514e-07 331 3.478e+10 6.862e-07 332 3.488e+10 8.414e-07 333 3.498e+10 8.973e-07 334 3.501e+10 9.087e-07 335 3.503e+10 9.210e-07 336 3.509e+10 9.474e-07 337 3.516e+10 9.744e-07 338 3.523e+10 1.000e-06 339 3.537e+10 1.057e-06 340 3.549e+10 1.070e-06 341 3.561e+10 1.095e-06 342 3.573e+10 1.109e-06 343 3.576e+10 1.133e-06 344 3.579e+10 1.151e-06 345 3.586e+10 1.181e-06 346 3.593e+10 1.213e-06 347 3.600e+10 1.231e-06 348 3.615e+10 1.266e-06 349 3.642e+10 1.316e-06 350 3.657e+10 1.356e-06 351 3.671e+10 1.385e-06 352 3.702e+10 1.367e-06 353 3.702e+10 1.347e-06 354 3.702e+10 1.348e-06 355 3.702e+10 1.350e-06 356 3.702e+10 1.356e-06 357 3.702e+10 1.360e-06 358 3.702e+10 1.362e-06 359 3.702e+10 1.365e-06 360 3.703e+10 1.377e-06 361 3.703e+10 1.387e-06 362 3.704e+10 1.393e-06 363 3.704e+10 1.397e-06 364 3.704e+10 1.399e-06 365 3.704e+10 1.398e-06 366 3.704e+10 1.398e-06 367 3.704e+10 1.398e-06 368 3.704e+10 1.399e-06 369 3.704e+10 1.398e-06 370 3.704e+10 1.399e-06 371 3.704e+10 1.399e-06 372 3.704e+10 1.399e-06 373 3.704e+10 1.399e-06 374 3.704e+10 1.400e-06 375 3.704e+10 1.401e-06 376 3.704e+10 1.403e-06 377 3.704e+10 1.407e-06 378 3.705e+10 1.412e-06 379 3.706e+10 1.420e-06 380 3.710e+10 1.427e-06 381 3.717e+10 1.438e-06 382 3.733e+10 1.469e-06 383 3.768e+10 1.537e-06 384 3.794e+10 1.533e-06 385 3.821e+10 1.533e-06 386 3.878e+10 1.527e-06 387 4.000e+10 1.507e-06 388 4.255e+10 1.455e-06 389 4.734e+10 1.397e-06 390 5.233e+10 1.373e-06 391 6.137e+10 1.383e-06 392 6.312e+10 1.410e-06 393 7.707e+10 2.534e-06 394 7.889e+10 2.577e-06 395 9.467e+10 2.633e-06 396 1.113e+11 2.663e-06 397 1.262e+11 2.681e-06 398 1.483e+11 2.701e-06 399 1.578e+11 2.717e-06 400 1.886e+11 2.731e-06 401 2.209e+11 2.748e-06 402 2.645e+11 2.761e-06 403 3.156e+11 2.770e-06 404 3.809e+11 2.782e-06 405 4.837e+11 2.782e-06 406 6.330e+11 2.788e-06 407 8.519e+11 2.792e-06 408 1.181e+12 2.795e-06 409 1.691e+12 2.798e-06 410 2.533e+12 2.800e-06 411 4.020e+12 2.802e-06 412 6.952e+12 2.803e-06 413 1.319e+13 2.803e-06 414 2.693e+13 2.803e-06 415 3.156e+13 2.803e-06 416 ANL-EBS-MD-000033 REV 00 ICN 1 VI-25 July 2000 Table VI-8. Listing for Data file “l4c4-LDTH60-1Dds_mc-ui-01.Lflux_5_6.dat” NUFT Version 3.0s (SUN/SOLARIS). Copyright (c) 1992. The NUFT code is copyrighted by the Regents of the University of California. All rights reserved. Operating System: SunOS s139.es.llnl.gov 5.5.1 Generic_103640-24 sun4u sparc SUNW,Ultra-2 C Compiler: CC: WorkShop Compilers 4.2 18 Sep 1997 C++ 4.2 patch 104631-04 Fortran Compiler: f77: WorkShop Compilers 4.2 04 Mar 1997 FORTRAN 77 4.2 patch 104529-01 Run Date: Wed Nov 3 23:00:12 1999 *l4c4-LDTH60-1Dds_mc-ui-01* 1.0130000e+01mm_yr,lineload, AML=60mtu_acre,LDTH601Dds_mi $flux Q.water.liquid summed over connections time (s) flux (kg/s) (The sequential numbers in the left-hand column are time step indices added by the author for reference.) 1.578e+09 0.000e+00 1 1.578e+09 0.000e+00 2 1.578e+09 0.000e+00 3 1.578e+09 0.000e+00 4 1.578e+09 0.000e+00 5 1.578e+09 0.000e+00 6 1.578e+09 0.000e+00 7 1.578e+09 0.000e+00 8 1.578e+09 0.000e+00 9 1.578e+09 0.000e+00 10 1.578e+09 0.000e+00 11 1.578e+09 0.000e+00 12 1.578e+09 0.000e+00 13 1.578e+09 0.000e+00 14 1.578e+09 0.000e+00 15 1.578e+09 0.000e+00 16 1.579e+09 0.000e+00 17 1.579e+09 0.000e+00 18 1.579e+09 0.000e+00 19 1.579e+09 0.000e+00 20 1.580e+09 0.000e+00 21 1.580e+09 0.000e+00 22 1.580e+09 0.000e+00 23 1.581e+09 0.000e+00 24 1.581e+09 0.000e+00 25 1.582e+09 0.000e+00 26 1.583e+09 0.000e+00 27 1.583e+09 0.000e+00 28 1.584e+09 0.000e+00 29 1.585e+09 0.000e+00 30 1.587e+09 0.000e+00 31 1.588e+09 0.000e+00 32 1.590e+09 0.000e+00 33 1.592e+09 0.000e+00 34 1.593e+09 0.000e+00 35 1.594e+09 0.000e+00 36 1.595e+09 0.000e+00 37 1.595e+09 0.000e+00 38 1.596e+09 0.000e+00 39 1.596e+09 0.000e+00 40 1.597e+09 0.000e+00 41 1.598e+09 0.000e+00 42 1.599e+09 0.000e+00 43 1.600e+09 0.000e+00 44 1.600e+09 0.000e+00 45 1.601e+09 0.000e+00 46 1.601e+09 0.000e+00 47 1.602e+09 0.000e+00 48 1.603e+09 0.000e+00 49 1.603e+09 0.000e+00 50 1.604e+09 0.000e+00 51 1.604e+09 0.000e+00 52 1.604e+09 0.000e+00 53 1.605e+09 0.000e+00 54 1.605e+09 0.000e+00 55 1.606e+09 0.000e+00 56 1.606e+09 0.000e+00 57 1.607e+09 0.000e+00 58 1.608e+09 0.000e+00 59 1.609e+09 0.000e+00 60 1.610e+09 0.000e+00 61 1.610e+09 0.000e+00 62 1.610e+09 0.000e+00 63 1.611e+09 0.000e+00 64 1.611e+09 0.000e+00 65 1.612e+09 0.000e+00 66 1.613e+09 0.000e+00 67 1.614e+09 0.000e+00 68 1.615e+09 0.000e+00 69 1.616e+09 0.000e+00 70 1.617e+09 0.000e+00 71 1.618e+09 0.000e+00 72 1.620e+09 0.000e+00 73 1.622e+09 0.000e+00 74 1.624e+09 0.000e+00 75 1.625e+09 0.000e+00 76 1.626e+09 0.000e+00 77 1.628e+09 0.000e+00 78 1.628e+09 0.000e+00 79 1.629e+09 0.000e+00 80 1.629e+09 0.000e+00 81 1.630e+09 0.000e+00 82 1.631e+09 0.000e+00 83 1.633e+09 0.000e+00 84 1.635e+09 0.000e+00 85 1.637e+09 0.000e+00 86 1.641e+09 0.000e+00 87 1.642e+09 0.000e+00 88 1.643e+09 0.000e+00 89 1.645e+09 0.000e+00 90 1.647e+09 0.000e+00 91 1.649e+09 0.000e+00 92 1.651e+09 0.000e+00 93 1.653e+09 0.000e+00 94 1.654e+09 0.000e+00 95 1.655e+09 0.000e+00 96 1.657e+09 0.000e+00 97 1.658e+09 0.000e+00 98 1.660e+09 0.000e+00 99 1.663e+09 0.000e+00 100 1.666e+09 0.000e+00 101 1.669e+09 0.000e+00 102 1.672e+09 0.000e+00 103 1.677e+09 0.000e+00 104 1.682e+09 0.000e+00 105 1.687e+09 0.000e+00 106 1.692e+09 0.000e+00 107 1.698e+09 0.000e+00 108 1.704e+09 0.000e+00 109 1.710e+09 0.000e+00 110 1.716e+09 0.000e+00 111 1.722e+09 0.000e+00 112 1.726e+09 0.000e+00 113 1.730e+09 0.000e+00 114 ANL-EBS-MD-000033 REV 00 ICN 1 VI-26 July 2000 1.736e+09 0.000e+00 115 1.742e+09 0.000e+00 116 1.749e+09 0.000e+00 117 1.753e+09 0.000e+00 118 1.757e+09 0.000e+00 119 1.762e+09 0.000e+00 120 1.768e+09 0.000e+00 121 1.775e+09 0.000e+00 122 1.782e+09 0.000e+00 123 1.786e+09 0.000e+00 124 1.789e+09 0.000e+00 125 1.792e+09 0.000e+00 126 1.796e+09 0.000e+00 127 1.801e+09 0.000e+00 128 1.807e+09 0.000e+00 129 1.813e+09 0.000e+00 130 1.818e+09 0.000e+00 131 1.826e+09 0.000e+00 132 1.835e+09 0.000e+00 133 1.842e+09 0.000e+00 134 1.846e+09 0.000e+00 135 1.850e+09 0.000e+00 136 1.854e+09 0.000e+00 137 1.859e+09 0.000e+00 138 1.866e+09 0.000e+00 139 1.874e+09 0.000e+00 140 1.883e+09 0.000e+00 141 1.890e+09 0.000e+00 142 1.893e+09 0.000e+00 143 1.896e+09 0.000e+00 144 1.900e+09 0.000e+00 145 1.906e+09 0.000e+00 146 1.915e+09 0.000e+00 147 1.927e+09 0.000e+00 148 1.940e+09 0.000e+00 149 1.954e+09 0.000e+00 150 1.960e+09 0.000e+00 151 1.966e+09 0.000e+00 152 1.975e+09 0.000e+00 153 1.986e+09 0.000e+00 154 2.002e+09 0.000e+00 155 2.017e+09 0.000e+00 156 2.029e+09 0.000e+00 157 2.041e+09 0.000e+00 158 2.054e+09 0.000e+00 159 2.074e+09 0.000e+00 160 2.082e+09 0.000e+00 161 2.091e+09 0.000e+00 162 2.102e+09 0.000e+00 163 2.117e+09 0.000e+00 164 2.142e+09 0.000e+00 165 2.175e+09 0.000e+00 166 2.215e+09 0.000e+00 167 2.271e+09 0.000e+00 168 2.341e+09 0.000e+00 169 2.346e+09 0.000e+00 170 2.352e+09 0.000e+00 171 2.364e+09 0.000e+00 172 2.388e+09 0.000e+00 173 2.432e+09 0.000e+00 174 2.507e+09 0.000e+00 175 2.512e+09 0.000e+00 176 2.517e+09 0.000e+00 177 2.527e+09 0.000e+00 178 2.549e+09 0.000e+00 179 2.592e+09 0.000e+00 180 2.604e+09 0.000e+00 181 2.617e+09 0.000e+00 182 2.643e+09 0.000e+00 183 2.694e+09 0.000e+00 184 2.722e+09 0.000e+00 185 2.749e+09 0.000e+00 186 2.803e+09 0.000e+00 187 2.897e+09 0.000e+00 188 3.037e+09 0.000e+00 189 3.156e+09 0.000e+00 190 3.338e+09 0.000e+00 191 3.600e+09 0.000e+00 192 3.931e+09 0.000e+00 193 4.299e+09 0.000e+00 194 4.581e+09 0.000e+00 195 4.864e+09 0.000e+00 196 5.232e+09 0.000e+00 197 5.759e+09 0.000e+00 198 5.954e+09 0.000e+00 199 6.052e+09 0.000e+00 200 6.150e+09 0.000e+00 201 6.312e+09 0.000e+00 202 6.503e+09 0.000e+00 203 6.867e+09 0.000e+00 204 7.485e+09 0.000e+00 205 7.935e+09 0.000e+00 206 8.047e+09 0.000e+00 207 8.160e+09 0.000e+00 208 8.392e+09 0.000e+00 209 8.838e+09 0.000e+00 210 9.302e+09 0.000e+00 211 9.467e+09 0.000e+00 212 9.931e+09 0.000e+00 213 1.020e+10 0.000e+00 214 1.046e+10 0.000e+00 215 1.065e+10 0.000e+00 216 1.084e+10 0.000e+00 217 1.102e+10 0.000e+00 218 1.121e+10 0.000e+00 219 1.155e+10 0.000e+00 220 1.206e+10 0.000e+00 221 1.231e+10 0.000e+00 222 1.256e+10 0.000e+00 223 1.262e+10 0.000e+00 224 1.313e+10 0.000e+00 225 1.321e+10 0.000e+00 226 1.330e+10 0.000e+00 227 1.348e+10 0.000e+00 228 1.372e+10 0.000e+00 229 1.396e+10 0.000e+00 230 1.440e+10 0.000e+00 231 1.452e+10 0.000e+00 232 1.465e+10 0.000e+00 233 1.477e+10 0.000e+00 234 1.489e+10 0.000e+00 235 1.514e+10 0.000e+00 236 1.546e+10 0.000e+00 237 1.578e+10 0.000e+00 238 1.594e+10 0.000e+00 239 1.611e+10 0.000e+00 240 1.628e+10 0.000e+00 241 1.645e+10 0.000e+00 242 1.663e+10 0.000e+00 243 1.681e+10 0.000e+00 244 1.700e+10 0.000e+00 245 1.718e+10 0.000e+00 246 1.751e+10 0.000e+00 247 1.802e+10 0.000e+00 248 1.853e+10 0.000e+00 249 1.882e+10 0.000e+00 250 1.910e+10 0.000e+00 251 1.913e+10 0.000e+00 252 1.915e+10 0.000e+00 253 1.920e+10 0.000e+00 254 1.931e+10 0.000e+00 255 1.935e+10 0.000e+00 256 1.939e+10 0.000e+00 257 1.948e+10 0.000e+00 258 1.953e+10 0.000e+00 259 1.958e+10 0.000e+00 260 1.963e+10 0.000e+00 261 1.968e+10 0.000e+00 262 1.978e+10 0.000e+00 263 1.986e+10 0.000e+00 264 1.993e+10 0.000e+00 265 2.002e+10 0.000e+00 266 2.009e+10 0.000e+00 267 2.016e+10 0.000e+00 268 2.030e+10 0.000e+00 269 2.040e+10 0.000e+00 270 2.051e+10 0.000e+00 271 2.071e+10 0.000e+00 272 2.074e+10 0.000e+00 273 2.077e+10 0.000e+00 274 2.084e+10 0.000e+00 275 2.086e+10 0.000e+00 276 2.088e+10 0.000e+00 277 2.094e+10 0.000e+00 278 2.099e+10 0.000e+00 279 2.103e+10 0.000e+00 280 2.114e+10 0.000e+00 281 2.125e+10 0.000e+00 282 2.136e+10 0.000e+00 283 2.145e+10 0.000e+00 284 2.154e+10 0.000e+00 285 2.173e+10 0.000e+00 286 2.209e+10 0.000e+00 287 2.247e+10 0.000e+00 288 2.320e+10 0.000e+00 289 2.377e+10 0.000e+00 290 2.433e+10 0.000e+00 291 2.467e+10 0.000e+00 292 2.501e+10 0.000e+00 293 2.516e+10 0.000e+00 294 2.524e+10 0.000e+00 295 2.532e+10 0.000e+00 296 2.536e+10 0.000e+00 297 2.541e+10 0.000e+00 298 2.550e+10 0.000e+00 299 2.565e+10 0.000e+00 300 2.573e+10 0.000e+00 301 2.580e+10 0.000e+00 302 2.596e+10 0.000e+00 303 ANL-EBS-MD-000033 REV 00 ICN 1 VI-27 July 2000 2.630e+10 0.000e+00 304 2.663e+10 0.000e+00 305 2.695e+10 0.000e+00 306 2.757e+10 0.000e+00 307 2.803e+10 0.000e+00 308 2.849e+10 0.000e+00 309 2.873e+10 0.000e+00 310 2.897e+10 0.000e+00 311 2.944e+10 0.000e+00 312 2.985e+10 0.000e+00 313 3.026e+10 0.000e+00 314 3.054e+10 0.000e+00 315 3.082e+10 0.000e+00 316 3.121e+10 0.000e+00 317 3.156e+10 0.000e+00 318 3.173e+10 0.000e+00 319 3.182e+10 0.000e+00 320 3.191e+10 0.000e+00 321 3.209e+10 0.000e+00 322 3.238e+10 0.000e+00 323 3.279e+10 0.000e+00 324 3.316e+10 0.000e+00 325 3.353e+10 0.000e+00 326 3.371e+10 0.000e+00 327 3.388e+10 0.000e+00 328 3.423e+10 0.000e+00 329 3.450e+10 4.478e-07 330 3.464e+10 4.151e-07 331 3.478e+10-1.498e-09 332 3.488e+10 9.153e-07 333 3.498e+10 8.589e-07 334 3.501e+10 1.242e-06 335 3.503e+10 1.300e-06 336 3.509e+10 1.400e-06 337 3.516e+10 1.539e-06 338 3.523e+10 1.738e-06 339 3.537e+10 2.123e-06 340 3.549e+10 2.300e-06 341 3.561e+10 2.611e-06 342 3.573e+10 2.576e-06 343 3.576e+10 2.509e-06 344 3.579e+10 2.560e-06 345 3.586e+10 2.661e-06 346 3.593e+10 2.898e-06 347 3.600e+10 2.938e-06 348 3.615e+10 3.088e-06 349 3.642e+10 3.372e-06 350 3.657e+10 4.647e-06 351 3.671e+10 4.427e-06 352 3.702e+10 3.700e-06 353 3.702e+10 3.546e-06 354 3.702e+10 3.591e-06 355 3.702e+10 3.570e-06 356 3.702e+10 3.527e-06 357 3.702e+10 3.520e-06 358 3.702e+10 3.557e-06 359 3.702e+10 3.621e-06 360 3.703e+10 3.713e-06 361 3.703e+10 3.766e-06 362 3.704e+10 3.786e-06 363 3.704e+10 3.808e-06 364 3.704e+10 3.812e-06 365 3.704e+10 3.811e-06 366 3.704e+10 3.814e-06 367 3.704e+10 3.816e-06 368 3.704e+10 3.819e-06 369 3.704e+10 3.818e-06 370 3.704e+10 3.816e-06 371 3.704e+10 3.816e-06 372 3.704e+10 3.817e-06 373 3.704e+10 3.818e-06 374 3.704e+10 3.820e-06 375 3.704e+10 3.824e-06 376 3.704e+10 3.833e-06 377 3.704e+10 3.852e-06 378 3.705e+10 3.885e-06 379 3.706e+10 3.925e-06 380 3.710e+10 3.965e-06 381 3.717e+10 4.036e-06 382 3.733e+10 4.274e-06 383 3.768e+10 4.957e-06 384 3.794e+10 4.823e-06 385 3.821e+10 5.203e-06 386 3.878e+10 4.808e-06 387 4.000e+10 5.093e-06 388 4.255e+10 4.952e-06 389 4.734e+10 4.796e-06 390 5.233e+10 4.661e-06 391 6.137e+10 4.702e-06 392 6.312e+10 4.678e-06 393 7.707e+10 8.706e-06 394 7.889e+10 8.312e-06 395 9.467e+10 8.399e-06 396 1.113e+11 8.443e-06 397 1.262e+11 8.392e-06 398 1.483e+11 8.382e-06 399 1.578e+11 8.376e-06 400 1.886e+11 8.371e-06 401 2.209e+11 8.332e-06 402 2.645e+11 8.293e-06 403 3.156e+11 8.261e-06 404 3.809e+11 8.223e-06 405 4.837e+11 8.175e-06 406 6.330e+11 8.120e-06 407 8.519e+11 8.069e-06 408 1.181e+12 8.025e-06 409 1.691e+12 7.991e-06 410 2.533e+12 7.951e-06 411 4.020e+12 7.936e-06 412 6.952e+12 7.930e-06 413 1.319e+13 7.927e-06 414 2.693e+13 7.924e-06 415 3.156e+13 7.922e-06 416 ANL-EBS-MD-000033 REV 00 ICN 1 VI-28 July 2000 Table VI-9. Listing for Data file “l4c4-LDTH60-1Dds_mc-ui-01.Gflux_0_1.dat” NUFT Version 3.0s (SUN/SOLARIS). Copyright (c) 1992. The NUFT code is copyrighted by the Regents of the University of California. All rights reserved. Operating System: SunOS s139.es.llnl.gov 5.5.1 Generic_103640-24 sun4u sparc SUNW,Ultra-2 C Compiler: CC: WorkShop Compilers 4.2 18 Sep 1997 C++ 4.2 patch 104631-04 Fortran Compiler: f77: WorkShop Compilers 4.2 04 Mar 1997 FORTRAN 77 4.2 patch 104529-01 Run Date: Wed Nov 3 23:00:12 1999 *l4c4-LDTH60-1Dds_mc-ui-01* 1.0130000e+01mm_yr,lineload, AML=60mtu_acre,LDTH601Dds_mi $flux Q.water.gas summed over connections time (s) flux (kg/s) (The columns of sequential numbers are time step indices added by the author for reference.) 1.578e+09 0.000e+00 1 1.578e+09 -3.540e-06 2 1.578e+09 -1.496e-06 3 1.578e+09 -9.664e-07 4 1.578e+09 -6.273e-07 5 1.578e+09 -3.379e-07 6 1.578e+09 -2.463e-07 7 1.578e+09 -2.070e-07 8 1.578e+09 -1.789e-07 9 1.578e+09 -1.628e-07 10 1.578e+09 -1.549e-07 11 1.578e+09 -1.604e-07 12 1.578e+09 -1.751e-07 13 1.578e+09 -3.177e-07 14 1.578e+09 -2.742e-07 15 1.578e+09 -3.386e-07 16 1.579e+09 -4.038e-07 17 1.579e+09 -5.545e-07 18 1.579e+09 -5.180e-07 19 1.579e+09 -5.747e-07 20 1.580e+09 -6.264e-07 21 1.580e+09 -6.270e-07 22 1.580e+09 -6.210e-07 23 1.581e+09 -5.860e-07 24 1.581e+09 -5.941e-07 25 1.582e+09 -5.406e-07 26 1.583e+09 -5.124e-07 27 1.583e+09 -4.811e-07 28 1.584e+09 -4.863e-07 29 1.585e+09 -4.129e-07 30 1.587e+09 -3.742e-07 31 1.588e+09 -3.410e-07 32 1.590e+09 -3.079e-07 33 1.592e+09 -2.739e-07 34 1.593e+09 -2.617e-07 35 1.594e+09 -2.497e-07 36 1.595e+09 -2.396e-07 37 1.595e+09 -2.330e-07 38 1.596e+09 -2.343e-07 39 1.596e+09 -2.212e-07 40 1.597e+09 -2.150e-07 41 1.598e+09 -2.163e-07 42 1.599e+09 -2.014e-07 43 1.600e+09 -1.966e-07 44 1.600e+09 -1.974e-07 45 1.601e+09 -1.961e-07 46 1.601e+09 -1.907e-07 47 1.602e+09 -1.873e-07 48 1.603e+09 -1.841e-07 49 1.603e+09 -1.851e-07 50 1.604e+09 -1.802e-07 51 1.604e+09 -1.800e-07 52 1.604e+09 -1.794e-07 53 1.605e+09 -1.804e-07 54 1.605e+09 -1.801e-07 55 1.606e+09 -1.791e-07 56 1.606e+09 -1.773e-07 57 1.607e+09 -1.769e-07 58 1.608e+09 -1.747e-07 59 1.609e+09 -1.718e-07 60 1.610e+09 -1.735e-07 61 1.610e+09 -1.721e-07 62 1.610e+09 -1.717e-07 63 1.611e+09 -1.717e-07 64 1.611e+09 -1.718e-07 65 1.612e+09 -1.720e-07 66 1.613e+09 -1.702e-07 67 1.614e+09 -1.735e-07 68 1.615e+09 -1.736e-07 69 1.616e+09 -1.724e-07 70 1.617e+09 -1.735e-07 71 1.618e+09 -1.750e-07 72 1.620e+09 -1.771e-07 73 1.622e+09 -1.801e-07 74 1.624e+09 -1.847e-07 75 1.625e+09 -1.861e-07 76 1.626e+09 -1.900e-07 77 1.628e+09 -1.926e-07 78 1.628e+09 -1.930e-07 79 1.629e+09 -1.944e-07 80 1.629e+09 -1.948e-07 81 1.630e+09 -1.973e-07 82 1.631e+09 -1.989e-07 83 1.633e+09 -2.021e-07 84 1.635e+09 -2.071e-07 85 1.637e+09 -2.125e-07 86 1.641e+09 -2.195e-07 87 1.642e+09 -2.230e-07 88 1.643e+09 -2.261e-07 89 1.645e+09 -2.303e-07 90 1.647e+09 -2.341e-07 91 1.649e+09 -2.377e-07 92 1.651e+09 -2.422e-07 93 1.653e+09 -2.478e-07 94 1.654e+09 -2.501e-07 95 1.655e+09 -2.527e-07 96 1.657e+09 -2.561e-07 97 1.658e+09 -2.596e-07 98 1.660e+09 -2.638e-07 99 1.663e+09 -2.694e-07 100 1.666e+09 -2.761e-07 101 1.669e+09 -2.835e-07 102 1.672e+09 -2.926e-07 103 1.677e+09 -3.025e-07 104 1.682e+09 -3.147e-07 105 1.687e+09 -3.277e-07 106 1.692e+09 -3.404e-07 107 1.698e+09 -3.552e-07 108 1.704e+09 -3.728e-07 109 1.710e+09 -3.876e-07 110 1.716e+09 -4.021e-07 111 1.722e+09 -4.195e-07 112 1.726e+09 -4.301e-07 113 1.730e+09 -4.404e-07 114 1.736e+09 -4.543e-07 115 1.742e+09 -4.698e-07 116 1.749e+09 -4.885e-07 117 1.753e+09 -4.986e-07 118 1.757e+09 -5.086e-07 119 1.762e+09 -5.218e-07 120 1.768e+09 -5.393e-07 121 ANL-EBS-MD-000033 REV 00 ICN 1 VI-29 July 2000 1.775e+09 -5.580e-07 122 1.782e+09 -5.766e-07 123 1.786e+09 -5.879e-07 124 1.789e+09 -5.967e-07 125 1.792e+09 -6.055e-07 126 1.796e+09 -6.161e-07 127 1.801e+09 -6.287e-07 128 1.807e+09 -6.467e-07 129 1.813e+09 -6.626e-07 130 1.818e+09 -6.783e-07 131 1.826e+09 -6.987e-07 132 1.835e+09 -7.249e-07 133 1.842e+09 -7.468e-07 134 1.846e+09 -7.591e-07 135 1.850e+09 -7.709e-07 136 1.854e+09 -7.829e-07 137 1.859e+09 -7.970e-07 138 1.866e+09 -8.174e-07 139 1.874e+09 -8.402e-07 140 1.883e+09 -8.639e-07 141 1.890e+09 -8.859e-07 142 1.893e+09 -8.947e-07 143 1.896e+09 -9.034e-07 144 1.900e+09 -9.151e-07 145 1.906e+09 -9.304e-07 146 1.915e+09 -9.556e-07 147 1.927e+09 -9.878e-07 148 1.940e+09 -1.023e-06 149 1.954e+09 -1.062e-06 150 1.960e+09 -1.080e-06 151 1.966e+09 -1.096e-06 152 1.975e+09 -1.118e-06 153 1.986e+09 -1.147e-06 154 2.002e+09 -1.189e-06 155 2.017e+09 -1.227e-06 156 2.029e+09 -1.256e-06 157 2.041e+09 -1.283e-06 158 2.054e+09 -1.315e-06 159 2.074e+09 -1.361e-06 160 2.082e+09 -1.382e-06 161 2.091e+09 -1.403e-06 162 2.102e+09 -1.431e-06 163 2.117e+09 -1.467e-06 164 2.142e+09 -1.526e-06 165 2.175e+09 -1.601e-06 166 2.215e+09 -1.690e-06 167 2.271e+09 -1.808e-06 168 2.341e+09 -1.953e-06 169 2.346e+09 -1.967e-06 170 2.352e+09 -1.978e-06 171 2.364e+09 -2.005e-06 172 2.388e+09 -2.049e-06 173 2.432e+09 -2.135e-06 174 2.507e+09 -2.271e-06 175 2.512e+09 -2.281e-06 176 2.517e+09 -2.290e-06 177 2.527e+09 -2.310e-06 178 2.549e+09 -2.345e-06 179 2.592e+09 -2.420e-06 180 2.604e+09 -2.447e-06 181 2.617e+09 -2.468e-06 182 2.643e+09 -2.516e-06 183 2.694e+09 -2.602e-06 184 2.722e+09 -2.634e-06 185 2.749e+09 -2.674e-06 186 2.803e+09 -2.752e-06 187 2.897e+09 -2.829e-06 188 3.037e+09 -2.912e-06 189 3.156e+09 -2.956e-06 190 3.338e+09 -3.111e-06 191 3.600e+09 -3.335e-06 192 3.931e+09 -3.436e-06 193 4.299e+09 -3.219e-06 194 4.581e+09 -2.885e-06 195 4.864e+09 -2.616e-06 196 5.232e+09 -2.490e-06 197 5.759e+09 -2.319e-06 198 5.954e+09 -2.247e-06 199 6.052e+09 -2.211e-06 200 6.150e+09 -2.170e-06 201 6.312e+09 -2.101e-06 202 6.503e+09 -2.054e-06 203 6.867e+09 -2.008e-06 204 7.485e+09 -1.913e-06 205 7.935e+09 -1.832e-06 206 8.047e+09 -1.818e-06 207 8.160e+09 -1.808e-06 208 8.392e+09 -1.794e-06 209 8.838e+09 -1.764e-06 210 9.302e+09 -1.728e-06 211 9.467e+09 -1.713e-06 212 9.931e+09 -1.693e-06 213 1.020e+10 -1.683e-06 214 1.046e+10 -1.669e-06 215 1.065e+10 -1.658e-06 216 1.084e+10 -1.685e-06 217 1.102e+10 -1.633e-06 218 1.121e+10 -1.624e-06 219 1.155e+10 -1.616e-06 220 1.206e+10 -1.591e-06 221 1.231e+10 -1.578e-06 222 1.256e+10 -1.564e-06 223 1.262e+10 -1.573e-06 224 1.313e+10 -1.536e-06 225 1.321e+10 -1.532e-06 226 1.330e+10 -1.545e-06 227 1.348e+10 -1.518e-06 228 1.372e+10 -1.506e-06 229 1.396e+10 -1.491e-06 230 1.440e+10 -1.465e-06 231 1.452e+10 -1.481e-06 232 1.465e+10 -1.454e-06 233 1.477e+10 -1.467e-06 234 1.489e+10 -1.440e-06 235 1.514e+10 -1.426e-06 236 1.546e+10 -1.407e-06 237 1.578e+10 -1.387e-06 238 1.594e+10 -1.378e-06 239 1.611e+10 -1.390e-06 240 1.628e+10 -1.359e-06 241 1.645e+10 -1.350e-06 242 1.663e+10 -1.343e-06 243 1.681e+10 -1.329e-06 244 1.700e+10 -1.318e-06 245 1.718e+10 -1.307e-06 246 1.751e+10 -1.286e-06 247 1.802e+10 -1.258e-06 248 1.853e+10 -1.228e-06 249 1.882e+10 -1.243e-06 250 1.910e+10 -1.197e-06 251 1.913e+10 -1.198e-06 252 1.915e+10 -1.198e-06 253 1.920e+10 -1.197e-06 254 1.931e+10 -1.192e-06 255 1.935e+10 -1.191e-06 256 1.939e+10 -1.189e-06 257 1.948e+10 -1.188e-06 258 1.953e+10 -1.189e-06 259 1.958e+10 -1.188e-06 260 1.963e+10 -1.188e-06 261 1.968e+10 -1.186e-06 262 1.978e+10 -1.184e-06 263 1.986e+10 -1.183e-06 264 1.993e+10 -1.181e-06 265 2.002e+10 -1.176e-06 266 2.009e+10 -1.172e-06 267 2.016e+10 -1.168e-06 268 2.030e+10 -1.161e-06 269 2.040e+10 -1.153e-06 270 2.051e+10 -1.146e-06 271 2.071e+10 -1.130e-06 272 2.074e+10 -1.130e-06 273 2.077e+10 -1.127e-06 274 2.084e+10 -1.124e-06 275 2.086e+10 -1.116e-06 276 2.088e+10 -1.116e-06 277 2.094e+10 -1.113e-06 278 2.099e+10 -1.109e-06 279 2.103e+10 -1.106e-06 280 2.114e+10 -1.094e-06 281 2.125e+10 -1.093e-06 282 2.136e+10 -1.076e-06 283 2.145e+10 -1.074e-06 284 2.154e+10 -1.067e-06 285 2.173e+10 -1.045e-06 286 2.209e+10 -1.014e-06 287 2.247e+10 -9.847e-07 288 2.320e+10 -9.329e-07 289 2.377e+10 -8.943e-07 290 2.433e+10 -8.592e-07 291 2.467e+10 -8.394e-07 292 2.501e+10 -8.200e-07 293 2.516e+10 -8.177e-07 294 2.524e+10 -8.074e-07 295 2.532e+10 -8.059e-07 296 2.536e+10 -8.021e-07 297 2.541e+10 -7.997e-07 298 2.550e+10 -7.966e-07 299 2.565e+10 -7.853e-07 300 2.573e+10 -7.814e-07 301 2.580e+10 -7.801e-07 302 2.596e+10 -7.746e-07 303 2.630e+10 -7.517e-07 304 2.663e+10 -7.358e-07 305 2.695e+10 -7.200e-07 306 2.757e+10 -6.913e-07 307 2.803e+10 -6.709e-07 308 2.849e+10 -6.512e-07 309 2.873e+10 -6.421e-07 310 ANL-EBS-MD-000033 REV 00 ICN 1 VI-30 July 2000 2.897e+10 -6.331e-07 311 2.944e+10 -6.154e-07 312 2.985e+10 -6.007e-07 313 3.026e+10 -5.864e-07 314 3.054e+10 -5.764e-07 315 3.082e+10 -5.669e-07 316 3.121e+10 -5.556e-07 317 3.156e+10 -5.465e-07 318 3.173e+10 -5.424e-07 319 3.182e+10 -5.403e-07 320 3.191e+10 -5.397e-07 321 3.209e+10 -5.344e-07 322 3.238e+10 -5.283e-07 323 3.279e+10 -5.196e-07 324 3.316e+10 -5.113e-07 325 3.353e+10 -4.989e-07 326 3.371e+10 -4.927e-07 327 3.388e+10 -4.869e-07 328 3.423e+10 -4.749e-07 329 3.450e+10 -4.670e-07 330 3.464e+10 -4.632e-07 331 3.478e+10 -4.608e-07 332 3.488e+10 -4.563e-07 333 3.498e+10 -4.536e-07 334 3.501e+10 -4.516e-07 335 3.503e+10 -4.509e-07 336 3.509e+10 -4.491e-07 337 3.516e+10 -4.469e-07 338 3.523e+10 -4.447e-07 339 3.537e+10 -4.408e-07 340 3.549e+10 -4.359e-07 341 3.561e+10 -4.326e-07 342 3.573e+10 -4.292e-07 343 3.576e+10 -4.286e-07 344 3.579e+10 -4.276e-07 345 3.586e+10 -4.251e-07 346 3.593e+10 -4.233e-07 347 3.600e+10 -4.211e-07 348 3.615e+10 -4.161e-07 349 3.642e+10 -4.092e-07 350 3.657e+10 -4.042e-07 351 3.671e+10 -3.998e-07 352 3.702e+10 -3.935e-07 353 3.702e+10 -3.985e-07 354 3.702e+10 -3.945e-07 355 3.702e+10 -3.887e-07 356 3.702e+10 -3.830e-07 357 3.702e+10 -3.765e-07 358 3.702e+10 -3.748e-07 359 3.702e+10 -3.705e-07 360 3.703e+10 -3.790e-07 361 3.703e+10 -3.796e-07 362 3.704e+10 -3.800e-07 363 3.704e+10 -3.795e-07 364 3.704e+10 -3.911e-07 365 3.704e+10 -3.679e-07 366 3.704e+10 -3.780e-07 367 3.704e+10 -3.786e-07 368 3.704e+10 -3.630e-07 369 3.704e+10 -3.557e-07 370 3.704e+10 -3.876e-07 371 3.704e+10 -3.868e-07 372 3.704e+10 -3.890e-07 373 3.704e+10 -3.891e-07 374 3.704e+10 -3.893e-07 375 3.704e+10 -3.903e-07 376 3.704e+10 -3.914e-07 377 3.704e+10 -3.916e-07 378 3.705e+10 -3.915e-07 379 3.706e+10 -3.910e-07 380 3.710e+10 -3.901e-07 381 3.717e+10 -3.882e-07 382 3.733e+10 -3.840e-07 383 3.768e+10 -3.749e-07 384 3.794e+10 -3.671e-07 385 3.821e+10 -3.614e-07 386 3.878e+10 -3.497e-07 387 4.000e+10 -3.259e-07 388 4.255e+10 -2.755e-07 389 4.734e+10 -1.977e-07 390 5.233e+10 -1.515e-07 391 6.137e+10 -1.109e-07 392 6.312e+10 -9.476e-08 393 7.707e+10 -6.243e-08 394 7.889e+10 -5.396e-08 395 9.467e+10 -3.444e-08 396 1.113e+11 -3.798e-08 397 1.262e+11 -1.636e-08 398 1.483e+11 -1.744e-08 399 1.578e+11 -7.421e-09 400 1.886e+11 -1.403e-08 401 2.209e+11 -9.320e-09 402 2.645e+11 -8.440e-09 403 3.156e+11 -4.907e-09 404 3.809e+11 -2.828e-09 405 4.837e+11 8.604e-10 406 6.330e+11 1.067e-09 407 8.519e+11 9.190e-10 408 1.181e+12 9.787e-10 409 1.691e+12 8.979e-10 410 2.533e+12 6.684e-10 411 4.020e+12 4.201e-10 412 6.952e+12 4.752e-11 413 1.319e+13 -5.119e-11 414 2.693e+13 -6.994e-12 415 3.156e+13 -6.268e-11 416 ANL-EBS-MD-000033 REV 00 ICN 1 VI-31 July 2000 Table VI-10. Listing for Data file “l4c4-LDTH60-1Dds_mc-ui-01.Gflux_1_2.dat” NUFT Version 3.0s (SUN/SOLARIS). Copyright (c) 1992. The NUFT code is copyrighted by the Regents of the University of California. All rights reserved. Operating System: SunOS s139.es.llnl.gov 5.5.1 Generic_103640-24 sun4u sparc SUNW,Ultra-2 C Compiler: CC: WorkShop Compilers 4.2 18 Sep 1997 C++ 4.2 patch 104631-04 Fortran Compiler: f77: WorkShop Compilers 4.2 04 Mar 1997 FORTRAN 77 4.2 patch 104529-01 Run Date: Wed Nov 3 23:00:12 1999 *l4c4-LDTH60-1Dds_mc-ui-01* 1.0130000e+01mm_yr,lineload, AML=60mtu_acre,LDTH601Dds_mi $flux Q.water.gas summed over connections time (s) flux (kg/s) (The columns of sequential numbers are time step indices added by the author for reference.) 1.578e+09 0.000e+00 1 1.578e+09 -4.681e-05 2 1.578e+09 -7.728e-06 3 1.578e+09 -4.337e-06 4 1.578e+09 -2.374e-06 5 1.578e+09 -1.454e-06 6 1.578e+09 -1.116e-06 7 1.578e+09 -9.110e-07 8 1.578e+09 -7.094e-07 9 1.578e+09 -5.359e-07 10 1.578e+09 -3.940e-07 11 1.578e+09 -3.408e-07 12 1.578e+09 -2.838e-07 13 1.578e+09 -3.400e-07 14 1.578e+09 -2.416e-07 15 1.578e+09 -2.561e-07 16 1.579e+09 -2.738e-07 17 1.579e+09 -3.740e-07 18 1.579e+09 -3.079e-07 19 1.579e+09 -3.478e-07 20 1.580e+09 -3.629e-07 21 1.580e+09 -3.509e-07 22 1.580e+09 -3.334e-07 23 1.581e+09 -3.399e-07 24 1.581e+09 -3.746e-07 25 1.582e+09 -3.696e-07 26 1.583e+09 -3.794e-07 27 1.583e+09 -3.904e-07 28 1.584e+09 -4.241e-07 29 1.585e+09 -4.270e-07 30 1.587e+09 -4.294e-07 31 1.588e+09 -4.500e-07 32 1.590e+09 -4.608e-07 33 1.592e+09 -4.104e-07 34 1.593e+09 -4.078e-07 35 1.594e+09 -4.202e-07 36 1.595e+09 -4.116e-07 37 1.595e+09 -4.194e-07 38 1.596e+09 -5.586e-07 39 1.596e+09 -7.092e-07 40 1.597e+09 -8.867e-07 41 1.598e+09 -1.145e-06 42 1.599e+09 -1.763e-06 43 1.600e+09 -2.561e-06 44 1.600e+09 -2.897e-06 45 1.601e+09 -3.289e-06 46 1.601e+09 -4.017e-06 47 1.602e+09 -5.120e-06 48 1.603e+09 -6.870e-06 49 1.603e+09 -8.224e-06 50 1.604e+09 -9.727e-06 51 1.604e+09 -1.022e-05 52 1.604e+09 -1.068e-05 53 1.605e+09 -1.165e-05 54 1.605e+09 -1.361e-05 55 1.606e+09 -1.710e-05 56 1.606e+09 -1.936e-05 57 1.607e+09 -2.196e-05 58 1.608e+09 -2.489e-05 59 1.609e+09 -2.749e-05 60 1.610e+09 -2.935e-05 61 1.610e+09 -2.989e-05 62 1.610e+09 -3.061e-05 63 1.611e+09 -3.156e-05 64 1.611e+09 -3.269e-05 65 1.612e+09 -3.403e-05 66 1.613e+09 -3.554e-05 67 1.614e+09 -3.731e-05 68 1.615e+09 -3.849e-05 69 1.616e+09 -3.971e-05 70 1.617e+09 -4.095e-05 71 1.618e+09 -4.192e-05 72 1.620e+09 -4.261e-05 73 1.622e+09 -4.270e-05 74 1.624e+09 -4.187e-05 75 1.625e+09 -4.145e-05 76 1.626e+09 -4.182e-05 77 1.628e+09 -4.191e-05 78 1.628e+09 -4.149e-05 79 1.629e+09 -4.146e-05 80 1.629e+09 -4.129e-05 81 1.630e+09 -4.078e-05 82 1.631e+09 -4.074e-05 83 1.633e+09 -3.955e-05 84 1.635e+09 -3.897e-05 85 1.637e+09 -3.780e-05 86 1.641e+09 -3.760e-05 87 1.642e+09 -3.681e-05 88 1.643e+09 -3.645e-05 89 1.645e+09 -3.551e-05 90 1.647e+09 -3.568e-05 91 1.649e+09 -3.516e-05 92 1.651e+09 -3.313e-05 93 1.653e+09 -3.167e-05 94 1.654e+09 -3.120e-05 95 1.655e+09 -3.054e-05 96 1.657e+09 -2.985e-05 97 1.658e+09 -2.907e-05 98 1.660e+09 -2.894e-05 99 1.663e+09 -2.839e-05 100 1.666e+09 -2.669e-05 101 1.669e+09 -2.638e-05 102 1.672e+09 -2.506e-05 103 1.677e+09 -2.377e-05 104 1.682e+09 -2.288e-05 105 1.687e+09 -2.098e-05 106 1.692e+09 -1.984e-05 107 1.698e+09 -1.977e-05 108 1.704e+09 -1.893e-05 109 1.710e+09 -1.711e-05 110 1.716e+09 -1.556e-05 111 1.722e+09 -1.401e-05 112 1.726e+09 -1.201e-05 113 1.730e+09 -1.030e-05 114 ANL-EBS-MD-000033 REV 00 ICN 1 VI-32 July 2000 1.736e+09 -8.004e-06 115 1.742e+09 -6.442e-06 116 1.749e+09 -5.200e-06 117 1.753e+09 -4.610e-06 118 1.757e+09 -4.044e-06 119 1.762e+09 -3.401e-06 120 1.768e+09 -2.695e-06 121 1.775e+09 -2.629e-06 122 1.782e+09 -2.697e-06 123 1.786e+09 -2.704e-06 124 1.789e+09 -2.605e-06 125 1.792e+09 -2.361e-06 126 1.796e+09 -2.239e-06 127 1.801e+09 -2.268e-06 128 1.807e+09 -2.120e-06 129 1.813e+09 -1.963e-06 130 1.818e+09 -1.888e-06 131 1.826e+09 -1.859e-06 132 1.835e+09 -1.800e-06 133 1.842e+09 -1.872e-06 134 1.846e+09 -1.838e-06 135 1.850e+09 -1.694e-06 136 1.854e+09 -1.630e-06 137 1.859e+09 -1.579e-06 138 1.866e+09 -1.523e-06 139 1.874e+09 -1.433e-06 140 1.883e+09 -1.409e-06 141 1.890e+09 -1.460e-06 142 1.893e+09 -1.418e-06 143 1.896e+09 -1.445e-06 144 1.900e+09 -1.448e-06 145 1.906e+09 -1.355e-06 146 1.915e+09 -1.269e-06 147 1.927e+09 -1.197e-06 148 1.940e+09 -1.152e-06 149 1.954e+09 -1.210e-06 150 1.960e+09 -1.161e-06 151 1.966e+09 -1.109e-06 152 1.975e+09 -1.025e-06 153 1.986e+09 -9.478e-07 154 2.002e+09 -9.637e-07 155 2.017e+09 -1.050e-06 156 2.029e+09 -9.046e-07 157 2.041e+09 -7.332e-07 158 2.054e+09 -6.769e-07 159 2.074e+09 -8.261e-07 160 2.082e+09 -7.712e-07 161 2.091e+09 -6.909e-07 162 2.102e+09 -5.515e-07 163 2.117e+09 -4.577e-07 164 2.142e+09 -4.987e-07 165 2.175e+09 -4.276e-07 166 2.215e+09 -3.600e-07 167 2.271e+09 -3.107e-07 168 2.341e+09 -2.691e-07 169 2.346e+09 -2.696e-07 170 2.352e+09 -2.637e-07 171 2.364e+09 -2.599e-07 172 2.388e+09 -2.452e-07 173 2.432e+09 -2.241e-07 174 2.507e+09 -2.043e-07 175 2.512e+09 -2.031e-07 176 2.517e+09 -2.045e-07 177 2.527e+09 -2.057e-07 178 2.549e+09 -2.056e-07 179 2.592e+09 -2.059e-07 180 2.604e+09 -2.103e-07 181 2.617e+09 -2.105e-07 182 2.643e+09 -2.123e-07 183 2.694e+09 -2.129e-07 184 2.722e+09 -2.050e-07 185 2.749e+09 -1.990e-07 186 2.803e+09 -1.948e-07 187 2.897e+09 -1.765e-07 188 3.037e+09 -1.561e-07 189 3.156e+09 -1.382e-07 190 3.338e+09 -1.171e-07 191 3.600e+09 -8.908e-08 192 3.931e+09 -5.285e-08 193 4.299e+09 -6.386e-09 194 4.581e+09 2.438e-08 195 4.864e+09 5.291e-08 196 5.232e+09 8.041e-08 197 5.759e+09 1.220e-07 198 5.954e+09 1.393e-07 199 6.052e+09 1.446e-07 200 6.150e+09 1.531e-07 201 6.312e+09 1.651e-07 202 6.503e+09 1.778e-07 203 6.867e+09 1.984e-07 204 7.485e+09 2.233e-07 205 7.935e+09 2.285e-07 206 8.047e+09 2.279e-07 207 8.160e+09 2.251e-07 208 8.392e+09 2.211e-07 209 8.838e+09 2.179e-07 210 9.302e+09 2.193e-07 211 9.467e+09 2.248e-07 212 9.931e+09 2.127e-07 213 1.020e+10 1.990e-07 214 1.046e+10 1.886e-07 215 1.065e+10 1.814e-07 216 1.084e+10 -6.101e-08 217 1.102e+10 -1.024e-08 218 1.121e+10 -2.213e-07 219 1.155e+10 -3.863e-07 220 1.206e+10 -6.342e-07 221 1.231e+10 -7.501e-07 222 1.256e+10 -9.787e-07 223 1.262e+10 -1.054e-06 224 1.313e+10 -1.415e-06 225 1.321e+10 -1.476e-06 226 1.330e+10 -1.554e-06 227 1.348e+10 -1.600e-06 228 1.372e+10 -1.754e-06 229 1.396e+10 -1.940e-06 230 1.440e+10 -2.215e-06 231 1.452e+10 -2.314e-06 232 1.465e+10 -2.359e-06 233 1.477e+10 -2.444e-06 234 1.489e+10 -2.441e-06 235 1.514e+10 -2.505e-06 236 1.546e+10 -2.662e-06 237 1.578e+10 -2.853e-06 238 1.594e+10 -2.920e-06 239 1.611e+10 -3.008e-06 240 1.628e+10 -3.070e-06 241 1.645e+10 -3.142e-06 242 1.663e+10 -3.232e-06 243 1.681e+10 -3.281e-06 244 1.700e+10 -3.308e-06 245 1.718e+10 -3.323e-06 246 1.751e+10 -3.310e-06 247 1.802e+10 -3.338e-06 248 1.853e+10 -3.433e-06 249 1.882e+10 -3.564e-06 250 1.910e+10 -3.965e-06 251 1.913e+10 -4.004e-06 252 1.915e+10 -4.019e-06 253 1.920e+10 -4.108e-06 254 1.931e+10 -4.362e-06 255 1.935e+10 -4.459e-06 256 1.939e+10 -4.547e-06 257 1.948e+10 -4.883e-06 258 1.953e+10 -5.050e-06 259 1.958e+10 -5.162e-06 260 1.963e+10 -5.312e-06 261 1.968e+10 -5.415e-06 262 1.978e+10 -5.579e-06 263 1.986e+10 -6.017e-06 264 1.993e+10 -6.417e-06 265 2.002e+10 -6.670e-06 266 2.009e+10 -6.875e-06 267 2.016e+10 -7.038e-06 268 2.030e+10 -7.241e-06 269 2.040e+10 -7.321e-06 270 2.051e+10 -7.418e-06 271 2.071e+10 -7.527e-06 272 2.074e+10 -7.545e-06 273 2.077e+10 -7.563e-06 274 2.084e+10 -7.596e-06 275 2.086e+10 -7.594e-06 276 2.088e+10 -7.601e-06 277 2.094e+10 -7.614e-06 278 2.099e+10 -7.630e-06 279 2.103e+10 -7.653e-06 280 2.114e+10 -7.698e-06 281 2.125e+10 -7.746e-06 282 2.136e+10 -7.765e-06 283 2.145e+10 -7.796e-06 284 2.154e+10 -7.812e-06 285 2.173e+10 -7.841e-06 286 2.209e+10 -7.901e-06 287 2.247e+10 -7.924e-06 288 2.320e+10 -8.032e-06 289 2.377e+10 -8.127e-06 290 2.433e+10 -8.235e-06 291 2.467e+10 -8.261e-06 292 2.501e+10 -8.319e-06 293 2.516e+10 -8.354e-06 294 2.524e+10 -8.356e-06 295 2.532e+10 -8.373e-06 296 2.536e+10 -8.374e-06 297 2.541e+10 -8.379e-06 298 2.550e+10 -8.393e-06 299 2.565e+10 -8.406e-06 300 2.573e+10 -8.415e-06 301 2.580e+10 -8.430e-06 302 2.596e+10 -8.453e-06 303 ANL-EBS-MD-000033 REV 00 ICN 1 VI-33 July 2000 2.630e+10 -8.518e-06 304 2.663e+10 -8.580e-06 305 2.695e+10 -8.618e-06 306 2.757e+10 -8.654e-06 307 2.803e+10 -8.645e-06 308 2.849e+10 -8.634e-06 309 2.873e+10 -8.631e-06 310 2.897e+10 -8.618e-06 311 2.944e+10 -8.576e-06 312 2.985e+10 -8.541e-06 313 3.026e+10 -8.480e-06 314 3.054e+10 -8.414e-06 315 3.082e+10 -8.377e-06 316 3.121e+10 -8.332e-06 317 3.156e+10 -8.308e-06 318 3.173e+10 -8.298e-06 319 3.182e+10 -8.290e-06 320 3.191e+10 -8.285e-06 321 3.209e+10 -8.261e-06 322 3.238e+10 -8.232e-06 323 3.279e+10 -8.179e-06 324 3.316e+10 -8.078e-06 325 3.353e+10 -7.715e-06 326 3.371e+10 -7.510e-06 327 3.388e+10 -7.316e-06 328 3.423e+10 -6.829e-06 329 3.450e+10 -6.534e-06 330 3.464e+10 -6.386e-06 331 3.478e+10 -6.354e-06 332 3.488e+10 -6.023e-06 333 3.498e+10 -5.840e-06 334 3.501e+10 -5.780e-06 335 3.503e+10 -5.735e-06 336 3.509e+10 -5.626e-06 337 3.516e+10 -5.508e-06 338 3.523e+10 -5.390e-06 339 3.537e+10 -5.134e-06 340 3.549e+10 -4.950e-06 341 3.561e+10 -4.790e-06 342 3.573e+10 -4.598e-06 343 3.576e+10 -4.539e-06 344 3.579e+10 -4.471e-06 345 3.586e+10 -4.339e-06 346 3.593e+10 -4.199e-06 347 3.600e+10 -4.082e-06 348 3.615e+10 -3.855e-06 349 3.642e+10 -3.474e-06 350 3.657e+10 -3.251e-06 351 3.671e+10 -3.043e-06 352 3.702e+10 -2.840e-06 353 3.702e+10 -3.021e-06 354 3.702e+10 -2.918e-06 355 3.702e+10 -2.848e-06 356 3.702e+10 -2.807e-06 357 3.702e+10 -2.781e-06 358 3.702e+10 -2.772e-06 359 3.702e+10 -2.737e-06 360 3.703e+10 -2.729e-06 361 3.703e+10 -2.708e-06 362 3.704e+10 -2.699e-06 363 3.704e+10 -2.691e-06 364 3.704e+10 -2.716e-06 365 3.704e+10 -2.683e-06 366 3.704e+10 -2.687e-06 367 3.704e+10 -2.688e-06 368 3.704e+10 -2.663e-06 369 3.704e+10 -2.655e-06 370 3.704e+10 -2.704e-06 371 3.704e+10 -2.705e-06 372 3.704e+10 -2.708e-06 373 3.704e+10 -2.710e-06 374 3.704e+10 -2.712e-06 375 3.704e+10 -2.713e-06 376 3.704e+10 -2.712e-06 377 3.704e+10 -2.706e-06 378 3.705e+10 -2.693e-06 379 3.706e+10 -2.670e-06 380 3.710e+10 -2.633e-06 381 3.717e+10 -2.554e-06 382 3.733e+10 -2.364e-06 383 3.768e+10 -1.967e-06 384 3.794e+10 -1.824e-06 385 3.821e+10 -1.673e-06 386 3.878e+10 -1.421e-06 387 4.000e+10 -1.052e-06 388 4.255e+10 -6.286e-07 389 4.734e+10 -3.174e-07 390 5.233e+10 -2.227e-07 391 6.137e+10 -1.366e-07 392 6.312e+10 -1.369e-07 393 7.707e+10 -7.987e-08 394 7.889e+10 -7.320e-08 395 9.467e+10 -4.735e-08 396 1.113e+11 -3.421e-08 397 1.262e+11 -2.524e-08 398 1.483e+11 -1.919e-08 399 1.578e+11 -1.629e-08 400 1.886e+11 -1.330e-08 401 2.209e+11 -1.009e-08 402 2.645e+11 -7.475e-09 403 3.156e+11 -5.425e-09 404 3.809e+11 -4.297e-09 405 4.837e+11 -2.451e-09 406 6.330e+11 -1.522e-09 407 8.519e+11 -9.303e-10 408 1.181e+12 -3.114e-10 409 1.691e+12 -8.896e-11 410 2.533e+12 1.541e-11 411 4.020e+12 3.191e-11 412 6.952e+12 -4.335e-11 413 1.319e+13 -6.171e-11 414 2.693e+13 -3.360e-11 415 3.156e+13 -4.417e-11 416 ANL-EBS-MD-000033 REV 00 ICN 1 VI-34 July 2000 Table VI-11. Listing for Data file “l4c4-LDTH60-1Dds_mc-ui-01.Gflux_2_3.dat” NUFT Version 3.0s (SUN/SOLARIS). Copyright (c) 1992. The NUFT code is copyrighted by the Regents of the University of California. All rights reserved. Operating System: SunOS s139.es.llnl.gov 5.5.1 Generic_103640-24 sun4u sparc SUNW,Ultra-2 C Compiler: CC: WorkShop Compilers 4.2 18 Sep 1997 C++ 4.2 patch 104631-04 Fortran Compiler: f77: WorkShop Compilers 4.2 04 Mar 1997 FORTRAN 77 4.2 patch 104529-01 Run Date: Wed Nov 3 23:00:12 1999 *l4c4-LDTH60-1Dds_mc-ui-01* 1.0130000e+01mm_yr,lineload, AML=60mtu_acre,LDTH601Dds_mi $flux Q.water.gas summed over connections time (s) flux (kg/s) (The columns of sequential numbers are time step indices added by the author for reference.) 1.578e+09 0.000e+00 1 1.578e+09 -5.765e-05 2 1.578e+09 -8.768e-06 3 1.578e+09 -4.881e-06 4 1.578e+09 -2.590e-06 5 1.578e+09 -1.645e-06 6 1.578e+09 -1.296e-06 7 1.578e+09 -1.089e-06 8 1.578e+09 -8.980e-07 9 1.578e+09 -7.452e-07 10 1.578e+09 -6.396e-07 11 1.578e+09 -6.284e-07 12 1.578e+09 -6.166e-07 13 1.578e+09 -7.159e-07 14 1.578e+09 -6.432e-07 15 1.578e+09 -6.761e-07 16 1.579e+09 -7.056e-07 17 1.579e+09 -8.242e-07 18 1.579e+09 -7.815e-07 19 1.579e+09 -8.666e-07 20 1.580e+09 -9.512e-07 21 1.580e+09 -1.033e-06 22 1.580e+09 -1.148e-06 23 1.581e+09 -1.308e-06 24 1.581e+09 -1.531e-06 25 1.582e+09 -1.775e-06 26 1.583e+09 -2.096e-06 27 1.583e+09 -2.529e-06 28 1.584e+09 -3.124e-06 29 1.585e+09 -3.987e-06 30 1.587e+09 -4.666e-06 31 1.588e+09 -5.937e-06 32 1.590e+09 -7.912e-06 33 1.592e+09 -1.133e-05 34 1.593e+09 -1.378e-05 35 1.594e+09 -1.659e-05 36 1.595e+09 -1.857e-05 37 1.595e+09 -1.996e-05 38 1.596e+09 -2.108e-05 39 1.596e+09 -2.283e-05 40 1.597e+09 -2.423e-05 41 1.598e+09 -2.620e-05 42 1.599e+09 -2.961e-05 43 1.600e+09 -3.248e-05 44 1.600e+09 -3.357e-05 45 1.601e+09 -3.469e-05 46 1.601e+09 -3.604e-05 47 1.602e+09 -3.808e-05 48 1.603e+09 -4.125e-05 49 1.603e+09 -4.323e-05 50 1.604e+09 -4.442e-05 51 1.604e+09 -4.474e-05 52 1.604e+09 -4.486e-05 53 1.605e+09 -4.539e-05 54 1.605e+09 -4.634e-05 55 1.606e+09 -4.730e-05 56 1.606e+09 -4.738e-05 57 1.607e+09 -4.766e-05 58 1.608e+09 -4.789e-05 59 1.609e+09 -4.769e-05 60 1.610e+09 -4.694e-05 61 1.610e+09 -4.669e-05 62 1.610e+09 -4.656e-05 63 1.611e+09 -4.642e-05 64 1.611e+09 -4.628e-05 65 1.612e+09 -4.613e-05 66 1.613e+09 -4.592e-05 67 1.614e+09 -4.564e-05 68 1.615e+09 -4.543e-05 69 1.616e+09 -4.536e-05 70 1.617e+09 -4.535e-05 71 1.618e+09 -4.513e-05 72 1.620e+09 -4.477e-05 73 1.622e+09 -4.399e-05 74 1.624e+09 -4.264e-05 75 1.625e+09 -4.174e-05 76 1.626e+09 -4.158e-05 77 1.628e+09 -4.127e-05 78 1.628e+09 -4.077e-05 79 1.629e+09 -4.063e-05 80 1.629e+09 -4.035e-05 81 1.630e+09 -3.975e-05 82 1.631e+09 -3.965e-05 83 1.633e+09 -3.852e-05 84 1.635e+09 -3.776e-05 85 1.637e+09 -3.640e-05 86 1.641e+09 -3.567e-05 87 1.642e+09 -3.472e-05 88 1.643e+09 -3.395e-05 89 1.645e+09 -3.238e-05 90 1.647e+09 -3.214e-05 91 1.649e+09 -3.130e-05 92 1.651e+09 -2.955e-05 93 1.653e+09 -2.906e-05 94 1.654e+09 -2.896e-05 95 1.655e+09 -2.869e-05 96 1.657e+09 -2.836e-05 97 1.658e+09 -2.696e-05 98 1.660e+09 -2.628e-05 99 1.663e+09 -2.546e-05 100 1.666e+09 -2.331e-05 101 1.669e+09 -2.326e-05 102 1.672e+09 -2.192e-05 103 1.677e+09 -2.022e-05 104 1.682e+09 -1.901e-05 105 1.687e+09 -1.773e-05 106 1.692e+09 -1.681e-05 107 1.698e+09 -1.626e-05 108 1.704e+09 -1.458e-05 109 1.710e+09 -1.258e-05 110 1.716e+09 -1.096e-05 111 1.722e+09 -9.016e-06 112 1.726e+09 -5.887e-06 113 1.730e+09 -4.447e-06 114 ANL-EBS-MD-000033 REV 00 ICN 1 VI-35 July 2000 1.736e+09 -3.251e-06 115 1.742e+09 -2.444e-06 116 1.749e+09 -1.805e-06 117 1.753e+09 -1.784e-06 118 1.757e+09 -1.758e-06 119 1.762e+09 -1.688e-06 120 1.768e+09 -1.619e-06 121 1.775e+09 -1.583e-06 122 1.782e+09 -1.507e-06 123 1.786e+09 -1.474e-06 124 1.789e+09 -1.501e-06 125 1.792e+09 -1.847e-06 126 1.796e+09 -1.688e-06 127 1.801e+09 -1.453e-06 128 1.807e+09 -1.415e-06 129 1.813e+09 -1.400e-06 130 1.818e+09 -1.392e-06 131 1.826e+09 -1.339e-06 132 1.835e+09 -1.270e-06 133 1.842e+09 -1.186e-06 134 1.846e+09 -1.291e-06 135 1.850e+09 -1.239e-06 136 1.854e+09 -1.479e-06 137 1.859e+09 -1.097e-06 138 1.866e+09 -1.096e-06 139 1.874e+09 -1.048e-06 140 1.883e+09 -9.963e-07 141 1.890e+09 -9.671e-07 142 1.893e+09 -9.754e-07 143 1.896e+09 -1.184e-06 144 1.900e+09 -1.111e-06 145 1.906e+09 -9.916e-07 146 1.915e+09 -9.846e-07 147 1.927e+09 -9.502e-07 148 1.940e+09 -9.430e-07 149 1.954e+09 -8.485e-07 150 1.960e+09 -8.743e-07 151 1.966e+09 -8.239e-07 152 1.975e+09 -8.032e-07 153 1.986e+09 -7.624e-07 154 2.002e+09 -6.517e-07 155 2.017e+09 -5.860e-07 156 2.029e+09 -5.839e-07 157 2.041e+09 -6.301e-07 158 2.054e+09 -5.508e-07 159 2.074e+09 -4.883e-07 160 2.082e+09 -5.513e-07 161 2.091e+09 -4.884e-07 162 2.102e+09 -5.141e-07 163 2.117e+09 -4.753e-07 164 2.142e+09 -4.326e-07 165 2.175e+09 -4.218e-07 166 2.215e+09 -3.564e-07 167 2.271e+09 -3.077e-07 168 2.341e+09 -2.666e-07 169 2.346e+09 -2.670e-07 170 2.352e+09 -2.612e-07 171 2.364e+09 -2.584e-07 172 2.388e+09 -2.435e-07 173 2.432e+09 -2.233e-07 174 2.507e+09 -2.045e-07 175 2.512e+09 -2.034e-07 176 2.517e+09 -2.046e-07 177 2.527e+09 -2.058e-07 178 2.549e+09 -2.061e-07 179 2.592e+09 -2.062e-07 180 2.604e+09 -2.106e-07 181 2.617e+09 -2.109e-07 182 2.643e+09 -2.124e-07 183 2.694e+09 -2.137e-07 184 2.722e+09 -2.055e-07 185 2.749e+09 -2.016e-07 186 2.803e+09 -2.009e-07 187 2.897e+09 -1.781e-07 188 3.037e+09 -1.581e-07 189 3.156e+09 -1.404e-07 190 3.338e+09 -1.184e-07 191 3.600e+09 -9.048e-08 192 3.931e+09 -5.477e-08 193 4.299e+09 -8.934e-09 194 4.581e+09 2.118e-08 195 4.864e+09 4.988e-08 196 5.232e+09 7.841e-08 197 5.759e+09 1.198e-07 198 5.954e+09 1.368e-07 199 6.052e+09 1.421e-07 200 6.150e+09 1.503e-07 201 6.312e+09 1.622e-07 202 6.503e+09 1.757e-07 203 6.867e+09 1.966e-07 204 7.485e+09 2.220e-07 205 7.935e+09 2.382e-07 206 8.047e+09 2.429e-07 207 8.160e+09 2.465e-07 208 8.392e+09 2.544e-07 209 8.838e+09 2.659e-07 210 9.302e+09 2.706e-07 211 9.467e+09 2.721e-07 212 9.931e+09 2.612e-07 213 1.020e+10 2.534e-07 214 1.046e+10 2.494e-07 215 1.065e+10 2.469e-07 216 1.084e+10 2.134e-07 217 1.102e+10 2.470e-07 218 1.121e+10 2.390e-07 219 1.155e+10 2.305e-07 220 1.206e+10 1.707e-07 221 1.231e+10 3.704e-08 222 1.256e+10 -7.169e-08 223 1.262e+10 -1.106e-07 224 1.313e+10 -2.840e-07 225 1.321e+10 -3.148e-07 226 1.330e+10 -3.609e-07 227 1.348e+10 -4.434e-07 228 1.372e+10 -5.845e-07 229 1.396e+10 -7.827e-07 230 1.440e+10 -1.169e-06 231 1.452e+10 -1.305e-06 232 1.465e+10 -1.377e-06 233 1.477e+10 -1.481e-06 234 1.489e+10 -1.479e-06 235 1.514e+10 -1.669e-06 236 1.546e+10 -1.911e-06 237 1.578e+10 -2.150e-06 238 1.594e+10 -2.204e-06 239 1.611e+10 -2.285e-06 240 1.628e+10 -2.339e-06 241 1.645e+10 -2.416e-06 242 1.663e+10 -2.499e-06 243 1.681e+10 -2.612e-06 244 1.700e+10 -2.719e-06 245 1.718e+10 -2.802e-06 246 1.751e+10 -2.822e-06 247 1.802e+10 -2.907e-06 248 1.853e+10 -2.980e-06 249 1.882e+10 -3.036e-06 250 1.910e+10 -3.177e-06 251 1.913e+10 -3.241e-06 252 1.915e+10 -3.277e-06 253 1.920e+10 -3.436e-06 254 1.931e+10 -3.812e-06 255 1.935e+10 -3.884e-06 256 1.939e+10 -3.921e-06 257 1.948e+10 -4.118e-06 258 1.953e+10 -4.366e-06 259 1.958e+10 -4.516e-06 260 1.963e+10 -4.789e-06 261 1.968e+10 -5.015e-06 262 1.978e+10 -5.204e-06 263 1.986e+10 -5.391e-06 264 1.993e+10 -5.548e-06 265 2.002e+10 -5.648e-06 266 2.009e+10 -5.932e-06 267 2.016e+10 -6.233e-06 268 2.030e+10 -6.579e-06 269 2.040e+10 -6.672e-06 270 2.051e+10 -6.798e-06 271 2.071e+10 -6.963e-06 272 2.074e+10 -6.989e-06 273 2.077e+10 -7.016e-06 274 2.084e+10 -7.065e-06 275 2.086e+10 -7.069e-06 276 2.088e+10 -7.077e-06 277 2.094e+10 -7.092e-06 278 2.099e+10 -7.110e-06 279 2.103e+10 -7.134e-06 280 2.114e+10 -7.191e-06 281 2.125e+10 -7.247e-06 282 2.136e+10 -7.276e-06 283 2.145e+10 -7.312e-06 284 2.154e+10 -7.334e-06 285 2.173e+10 -7.377e-06 286 2.209e+10 -7.462e-06 287 2.247e+10 -7.503e-06 288 2.320e+10 -7.647e-06 289 2.377e+10 -7.770e-06 290 2.433e+10 -7.904e-06 291 2.467e+10 -7.931e-06 292 2.501e+10 -7.990e-06 293 2.516e+10 -8.024e-06 294 2.524e+10 -8.024e-06 295 2.532e+10 -8.041e-06 296 2.536e+10 -8.044e-06 297 2.541e+10 -8.051e-06 298 2.550e+10 -8.068e-06 299 2.565e+10 -8.089e-06 300 2.573e+10 -8.102e-06 301 2.580e+10 -8.120e-06 302 2.596e+10 -8.153e-06 303 ANL-EBS-MD-000033 REV 00 ICN 1 VI-36 July 2000 2.630e+10 -8.246e-06 304 2.663e+10 -8.329e-06 305 2.695e+10 -8.408e-06 306 2.757e+10 -8.513e-06 307 2.803e+10 -8.541e-06 308 2.849e+10 -8.576e-06 309 2.873e+10 -8.621e-06 310 2.897e+10 -8.663e-06 311 2.944e+10 -8.745e-06 312 2.985e+10 -8.834e-06 313 3.026e+10 -8.907e-06 314 3.054e+10 -8.930e-06 315 3.082e+10 -8.975e-06 316 3.121e+10 -9.031e-06 317 3.156e+10 -9.096e-06 318 3.173e+10 -9.127e-06 319 3.182e+10 -9.140e-06 320 3.191e+10 -9.155e-06 321 3.209e+10 -9.176e-06 322 3.238e+10 -9.219e-06 323 3.279e+10 -9.276e-06 324 3.316e+10 -9.288e-06 325 3.353e+10 -9.109e-06 326 3.371e+10 -9.005e-06 327 3.388e+10 -8.922e-06 328 3.423e+10 -8.697e-06 329 3.450e+10 -8.597e-06 330 3.464e+10 -8.548e-06 331 3.478e+10 -8.579e-06 332 3.488e+10 -8.395e-06 333 3.498e+10 -8.315e-06 334 3.501e+10 -8.286e-06 335 3.503e+10 -8.268e-06 336 3.509e+10 -8.220e-06 337 3.516e+10 -8.168e-06 338 3.523e+10 -8.117e-06 339 3.537e+10 -8.004e-06 340 3.549e+10 -7.926e-06 341 3.561e+10 -7.859e-06 342 3.573e+10 -7.773e-06 343 3.576e+10 -7.740e-06 344 3.579e+10 -7.704e-06 345 3.586e+10 -7.636e-06 346 3.593e+10 -7.563e-06 347 3.600e+10 -7.506e-06 348 3.615e+10 -7.389e-06 349 3.642e+10 -7.183e-06 350 3.657e+10 -7.042e-06 351 3.671e+10 -6.906e-06 352 3.702e+10 -6.822e-06 353 3.702e+10 -7.108e-06 354 3.702e+10 -6.947e-06 355 3.702e+10 -6.830e-06 356 3.702e+10 -6.750e-06 357 3.702e+10 -6.700e-06 358 3.702e+10 -6.707e-06 359 3.702e+10 -6.688e-06 360 3.703e+10 -6.697e-06 361 3.703e+10 -6.683e-06 362 3.704e+10 -6.672e-06 363 3.704e+10 -6.667e-06 364 3.704e+10 -6.696e-06 365 3.704e+10 -6.651e-06 366 3.704e+10 -6.658e-06 367 3.704e+10 -6.661e-06 368 3.704e+10 -6.623e-06 369 3.704e+10 -6.610e-06 370 3.704e+10 -6.687e-06 371 3.704e+10 -6.689e-06 372 3.704e+10 -6.693e-06 373 3.704e+10 -6.696e-06 374 3.704e+10 -6.699e-06 375 3.704e+10 -6.699e-06 376 3.704e+10 -6.697e-06 377 3.704e+10 -6.690e-06 378 3.705e+10 -6.680e-06 379 3.706e+10 -6.664e-06 380 3.710e+10 -6.637e-06 381 3.717e+10 -6.577e-06 382 3.733e+10 -6.422e-06 383 3.768e+10 -6.074e-06 384 3.794e+10 -5.916e-06 385 3.821e+10 -5.758e-06 386 3.878e+10 -5.420e-06 387 4.000e+10 -4.713e-06 388 4.255e+10 -3.544e-06 389 4.734e+10 -2.013e-06 390 5.233e+10 -1.337e-06 391 6.137e+10 -7.114e-07 392 6.312e+10 -7.431e-07 393 7.707e+10 -3.613e-07 394 7.889e+10 -3.310e-07 395 9.467e+10 -1.921e-07 396 1.113e+11 -1.264e-07 397 1.262e+11 -9.466e-08 398 1.483e+11 -6.811e-08 399 1.578e+11 -6.031e-08 400 1.886e+11 -4.505e-08 401 2.209e+11 -3.387e-08 402 2.645e+11 -2.529e-08 403 3.156e+11 -1.899e-08 404 3.809e+11 -1.436e-08 405 4.837e+11 -9.212e-09 406 6.330e+11 -5.980e-09 407 8.519e+11 -3.612e-09 408 1.181e+12 -1.957e-09 409 1.691e+12 -1.039e-09 410 2.533e+12 -4.675e-10 411 4.020e+12 -2.296e-10 412 6.952e+12 -2.293e-10 413 1.319e+13 -2.245e-10 414 2.693e+13 -1.574e-10 415 3.156e+13 -1.549e-10 416 ANL-EBS-MD-000033 REV 00 ICN 1 VI-37 July 2000 Table VI-12. Listing for Data file “l4c4-LDTH60-1Dds_mc-ui-01.Gflux_3_4.dat” NUFT Version 3.0s (SUN/SOLARIS). Copyright (c) 1992. The NUFT code is copyrighted by the Regents of the University of California. All rights reserved. Operating System: SunOS s139.es.llnl.gov 5.5.1 Generic_103640-24 sun4u sparc SUNW,Ultra-2 C Compiler: CC: WorkShop Compilers 4.2 18 Sep 1997 C++ 4.2 patch 104631-04 Fortran Compiler: f77: WorkShop Compilers 4.2 04 Mar 1997 FORTRAN 77 4.2 patch 104529-01 Run Date: Wed Nov 3 23:00:12 1999 *l4c4-LDTH60-1Dds_mc-ui-01* 1.0130000e+01mm_yr,lineload, AML=60mtu_acre,LDTH601Dds_mi $flux Q.water.gas summed over connections time (s) flux (kg/s) (The columns of sequential numbers are time step indices added by the author for reference.) 1.578e+09 0.000e+00 1 1.578e+09 6.710e-06 2 1.578e+09 -5.404e-07 3 1.578e+09 -3.857e-07 4 1.578e+09 -1.120e-07 5 1.578e+09 -8.227e-08 6 1.578e+09 -6.869e-08 7 1.578e+09 -6.416e-08 8 1.578e+09 -7.691e-08 9 1.578e+09 -9.581e-08 10 1.578e+09 -1.260e-07 11 1.578e+09 -1.466e-07 12 1.578e+09 -1.630e-07 13 1.578e+09 -1.846e-07 14 1.578e+09 -1.964e-07 15 1.578e+09 -2.318e-07 16 1.579e+09 -2.781e-07 17 1.579e+09 -3.329e-07 18 1.579e+09 -3.389e-07 19 1.579e+09 -3.835e-07 20 1.580e+09 -4.435e-07 21 1.580e+09 -5.144e-07 22 1.580e+09 -5.941e-07 23 1.581e+09 -4.703e-07 24 1.581e+09 -4.617e-07 25 1.582e+09 -4.629e-07 26 1.583e+09 -4.762e-07 27 1.583e+09 -4.994e-07 28 1.584e+09 -5.307e-07 29 1.585e+09 -5.542e-07 30 1.587e+09 -5.876e-07 31 1.588e+09 -6.203e-07 32 1.590e+09 -6.693e-07 33 1.592e+09 -8.164e-07 34 1.593e+09 -8.384e-07 35 1.594e+09 -8.117e-07 36 1.595e+09 -7.852e-07 37 1.595e+09 -7.667e-07 38 1.596e+09 -7.561e-07 39 1.596e+09 -7.453e-07 40 1.597e+09 -7.602e-07 41 1.598e+09 -7.837e-07 42 1.599e+09 -7.968e-07 43 1.600e+09 -8.055e-07 44 1.600e+09 -8.070e-07 45 1.601e+09 -8.063e-07 46 1.601e+09 -8.240e-07 47 1.602e+09 -8.656e-07 48 1.603e+09 -9.297e-07 49 1.603e+09 -9.694e-07 50 1.604e+09 -9.959e-07 51 1.604e+09 -1.009e-06 52 1.604e+09 -1.027e-06 53 1.605e+09 -1.054e-06 54 1.605e+09 -1.083e-06 55 1.606e+09 -1.047e-06 56 1.606e+09 -1.026e-06 57 1.607e+09 -9.499e-07 58 1.608e+09 -8.593e-07 59 1.609e+09 -7.645e-07 60 1.610e+09 -7.036e-07 61 1.610e+09 -6.767e-07 62 1.610e+09 -6.469e-07 63 1.611e+09 -6.183e-07 64 1.611e+09 -5.917e-07 65 1.612e+09 -5.715e-07 66 1.613e+09 -5.432e-07 67 1.614e+09 -5.163e-07 68 1.615e+09 -4.744e-07 69 1.616e+09 -4.337e-07 70 1.617e+09 -4.043e-07 71 1.618e+09 -3.979e-07 72 1.620e+09 -4.131e-07 73 1.622e+09 -4.781e-07 74 1.624e+09 -5.830e-07 75 1.625e+09 -6.381e-07 76 1.626e+09 -6.320e-07 77 1.628e+09 -5.772e-07 78 1.628e+09 -5.583e-07 79 1.629e+09 -5.219e-07 80 1.629e+09 -4.778e-07 81 1.630e+09 -4.559e-07 82 1.631e+09 -4.109e-07 83 1.633e+09 -4.211e-07 84 1.635e+09 -4.063e-07 85 1.637e+09 -4.454e-07 86 1.641e+09 -4.494e-07 87 1.642e+09 -4.648e-07 88 1.643e+09 -4.592e-07 89 1.645e+09 -4.684e-07 90 1.647e+09 -4.399e-07 91 1.649e+09 -4.284e-07 92 1.651e+09 -4.823e-07 93 1.653e+09 -5.132e-07 94 1.654e+09 -5.067e-07 95 1.655e+09 -5.072e-07 96 1.657e+09 -4.963e-07 97 1.658e+09 -5.090e-07 98 1.660e+09 -4.989e-07 99 1.663e+09 -5.136e-07 100 1.666e+09 -5.659e-07 101 1.669e+09 -5.420e-07 102 1.672e+09 -5.515e-07 103 1.677e+09 -5.548e-07 104 1.682e+09 -5.419e-07 105 1.687e+09 -5.260e-07 106 1.692e+09 -4.823e-07 107 1.698e+09 -4.382e-07 108 1.704e+09 -4.337e-07 109 1.710e+09 -4.438e-07 110 1.716e+09 -4.239e-07 111 1.722e+09 -3.726e-07 112 1.726e+09 -3.754e-07 113 1.730e+09 -3.606e-07 114 1.736e+09 -3.470e-07 115 1.742e+09 -3.358e-07 116 1.749e+09 -3.331e-07 117 ANL-EBS-MD-000033 REV 00 ICN 1 VI-38 July 2000 1.753e+09 -3.340e-07 118 1.757e+09 -3.337e-07 119 1.762e+09 -3.254e-07 120 1.768e+09 -3.174e-07 121 1.775e+09 -3.149e-07 122 1.782e+09 -3.036e-07 123 1.786e+09 -2.973e-07 124 1.789e+09 -2.990e-07 125 1.792e+09 -3.002e-07 126 1.796e+09 -3.047e-07 127 1.801e+09 -3.007e-07 128 1.807e+09 -2.985e-07 129 1.813e+09 -3.001e-07 130 1.818e+09 -3.006e-07 131 1.826e+09 -2.930e-07 132 1.835e+09 -2.796e-07 133 1.842e+09 -2.653e-07 134 1.846e+09 -2.602e-07 135 1.850e+09 -2.579e-07 136 1.854e+09 -2.561e-07 137 1.859e+09 -2.512e-07 138 1.866e+09 -2.471e-07 139 1.874e+09 -2.449e-07 140 1.883e+09 -2.343e-07 141 1.890e+09 -2.286e-07 142 1.893e+09 -2.334e-07 143 1.896e+09 -2.378e-07 144 1.900e+09 -2.426e-07 145 1.906e+09 -2.418e-07 146 1.915e+09 -2.379e-07 147 1.927e+09 -2.401e-07 148 1.940e+09 -2.417e-07 149 1.954e+09 -2.243e-07 150 1.960e+09 -2.209e-07 151 1.966e+09 -2.200e-07 152 1.975e+09 -2.166e-07 153 1.986e+09 -2.070e-07 154 2.002e+09 -1.872e-07 155 2.017e+09 -1.732e-07 156 2.029e+09 -1.721e-07 157 2.041e+09 -1.707e-07 158 2.054e+09 -1.625e-07 159 2.074e+09 -1.507e-07 160 2.082e+09 -1.489e-07 161 2.091e+09 -1.510e-07 162 2.102e+09 -1.504e-07 163 2.117e+09 -1.429e-07 164 2.142e+09 -1.384e-07 165 2.175e+09 -1.363e-07 166 2.215e+09 -1.206e-07 167 2.271e+09 -1.088e-07 168 2.341e+09 -9.881e-08 169 2.346e+09 -9.831e-08 170 2.352e+09 -9.746e-08 171 2.364e+09 -9.616e-08 172 2.388e+09 -9.294e-08 173 2.432e+09 -8.781e-08 174 2.507e+09 -8.297e-08 175 2.512e+09 -8.308e-08 176 2.517e+09 -8.328e-08 177 2.527e+09 -8.338e-08 178 2.549e+09 -8.324e-08 179 2.592e+09 -8.364e-08 180 2.604e+09 -8.447e-08 181 2.617e+09 -8.461e-08 182 2.643e+09 -8.476e-08 183 2.694e+09 -8.422e-08 184 2.722e+09 -8.301e-08 185 2.749e+09 -8.205e-08 186 2.803e+09 -8.060e-08 187 2.897e+09 -7.628e-08 188 3.037e+09 -7.105e-08 189 3.156e+09 -6.632e-08 190 3.338e+09 -6.071e-08 191 3.600e+09 -5.355e-08 192 3.931e+09 -4.429e-08 193 4.299e+09 -3.212e-08 194 4.581e+09 -2.393e-08 195 4.864e+09 -1.629e-08 196 5.232e+09 -8.850e-09 197 5.759e+09 2.285e-09 198 5.954e+09 6.935e-09 199 6.052e+09 8.730e-09 200 6.150e+09 1.084e-08 201 6.312e+09 1.470e-08 202 6.503e+09 1.805e-08 203 6.867e+09 2.400e-08 204 7.485e+09 3.172e-08 205 7.935e+09 3.705e-08 206 8.047e+09 3.813e-08 207 8.160e+09 3.920e-08 208 8.392e+09 4.157e-08 209 8.838e+09 4.537e-08 210 9.302e+09 4.708e-08 211 9.467e+09 4.780e-08 212 9.931e+09 5.111e-08 213 1.020e+10 5.466e-08 214 1.046e+10 5.808e-08 215 1.065e+10 5.994e-08 216 1.084e+10 6.101e-08 217 1.102e+10 6.343e-08 218 1.121e+10 6.431e-08 219 1.155e+10 6.545e-08 220 1.206e+10 6.888e-08 221 1.231e+10 7.069e-08 222 1.256e+10 7.219e-08 223 1.262e+10 7.213e-08 224 1.313e+10 7.471e-08 225 1.321e+10 7.498e-08 226 1.330e+10 7.475e-08 227 1.348e+10 7.543e-08 228 1.372e+10 7.539e-08 229 1.396e+10 7.637e-08 230 1.440e+10 7.804e-08 231 1.452e+10 7.785e-08 232 1.465e+10 7.848e-08 233 1.477e+10 7.814e-08 234 1.489e+10 7.817e-08 235 1.514e+10 7.732e-08 236 1.546e+10 7.766e-08 237 1.578e+10 7.717e-08 238 1.594e+10 7.641e-08 239 1.611e+10 7.447e-08 240 1.628e+10 7.531e-08 241 1.645e+10 7.536e-08 242 1.663e+10 7.512e-08 243 1.681e+10 7.558e-08 244 1.700e+10 7.545e-08 245 1.718e+10 7.527e-08 246 1.751e+10 7.451e-08 247 1.802e+10 7.791e-08 248 1.853e+10 8.055e-08 249 1.882e+10 8.038e-08 250 1.910e+10 9.787e-08 251 1.913e+10 1.005e-07 252 1.915e+10 1.015e-07 253 1.920e+10 1.075e-07 254 1.931e+10 1.210e-07 255 1.935e+10 1.246e-07 256 1.939e+10 1.277e-07 257 1.948e+10 1.410e-07 258 1.953e+10 1.522e-07 259 1.958e+10 1.580e-07 260 1.963e+10 1.675e-07 261 1.968e+10 1.737e-07 262 1.978e+10 1.837e-07 263 1.986e+10 1.950e-07 264 1.993e+10 2.026e-07 265 2.002e+10 2.073e-07 266 2.009e+10 2.149e-07 267 2.016e+10 2.226e-07 268 2.030e+10 2.344e-07 269 2.040e+10 2.374e-07 270 2.051e+10 2.424e-07 271 2.071e+10 2.454e-07 272 2.074e+10 2.452e-07 273 2.077e+10 2.456e-07 274 2.084e+10 2.447e-07 275 2.086e+10 2.444e-07 276 2.088e+10 2.439e-07 277 2.094e+10 2.436e-07 278 2.099e+10 2.443e-07 279 2.103e+10 2.455e-07 280 2.114e+10 2.473e-07 281 2.125e+10 2.473e-07 282 2.136e+10 2.485e-07 283 2.145e+10 2.482e-07 284 2.154e+10 2.473e-07 285 2.173e+10 2.468e-07 286 2.209e+10 2.456e-07 287 2.247e+10 2.495e-07 288 2.320e+10 2.566e-07 289 2.377e+10 2.593e-07 290 2.433e+10 2.596e-07 291 2.467e+10 2.668e-07 292 2.501e+10 2.744e-07 293 2.516e+10 2.775e-07 294 2.524e+10 2.803e-07 295 2.532e+10 2.817e-07 296 2.536e+10 2.819e-07 297 2.541e+10 2.824e-07 298 2.550e+10 2.836e-07 299 2.565e+10 2.854e-07 300 2.573e+10 2.862e-07 301 2.580e+10 2.870e-07 302 2.596e+10 2.836e-07 303 2.630e+10 2.771e-07 304 2.663e+10 2.797e-07 305 2.695e+10 2.825e-07 306 ANL-EBS-MD-000033 REV 00 ICN 1 VI-39 July 2000 2.757e+10 2.995e-07 307 2.803e+10 3.233e-07 308 2.849e+10 3.272e-07 309 2.873e+10 3.467e-07 310 2.897e+10 3.597e-07 311 2.944e+10 3.868e-07 312 2.985e+10 2.260e-07 313 3.026e+10 -1.429e-07 314 3.054e+10 -5.285e-07 315 3.082e+10 -1.067e-06 316 3.121e+10 -2.628e-06 317 3.156e+10 -4.271e-06 318 3.173e+10 -4.996e-06 319 3.182e+10 -5.335e-06 320 3.191e+10 -5.672e-06 321 3.209e+10 -6.327e-06 322 3.238e+10 -7.442e-06 323 3.279e+10 -9.075e-06 324 3.316e+10 -9.883e-06 325 3.353e+10 -9.431e-06 326 3.371e+10 -9.153e-06 327 3.388e+10 -9.007e-06 328 3.423e+10 -8.630e-06 329 3.450e+10 -8.529e-06 330 3.464e+10 -8.492e-06 331 3.478e+10 -8.614e-06 332 3.488e+10 -8.306e-06 333 3.498e+10 -8.203e-06 334 3.501e+10 -8.167e-06 335 3.503e+10 -8.147e-06 336 3.509e+10 -8.091e-06 337 3.516e+10 -8.033e-06 338 3.523e+10 -7.976e-06 339 3.537e+10 -7.855e-06 340 3.549e+10 -7.800e-06 341 3.561e+10 -7.742e-06 342 3.573e+10 -7.682e-06 343 3.576e+10 -7.634e-06 344 3.579e+10 -7.594e-06 345 3.586e+10 -7.523e-06 346 3.593e+10 -7.448e-06 347 3.600e+10 -7.407e-06 348 3.615e+10 -7.323e-06 349 3.642e+10 -7.197e-06 350 3.657e+10 -7.066e-06 351 3.671e+10 -6.974e-06 352 3.702e+10 -7.064e-06 353 3.702e+10 -7.272e-06 354 3.702e+10 -7.144e-06 355 3.702e+10 -7.000e-06 356 3.702e+10 -6.878e-06 357 3.702e+10 -6.874e-06 358 3.702e+10 -6.927e-06 359 3.702e+10 -6.938e-06 360 3.703e+10 -6.929e-06 361 3.703e+10 -6.915e-06 362 3.704e+10 -6.905e-06 363 3.704e+10 -6.900e-06 364 3.704e+10 -6.908e-06 365 3.704e+10 -6.894e-06 366 3.704e+10 -6.895e-06 367 3.704e+10 -6.895e-06 368 3.704e+10 -6.873e-06 369 3.704e+10 -6.866e-06 370 3.704e+10 -6.910e-06 371 3.704e+10 -6.909e-06 372 3.704e+10 -6.911e-06 373 3.704e+10 -6.911e-06 374 3.704e+10 -6.911e-06 375 3.704e+10 -6.908e-06 376 3.704e+10 -6.905e-06 377 3.704e+10 -6.899e-06 378 3.705e+10 -6.891e-06 379 3.706e+10 -6.879e-06 380 3.710e+10 -6.864e-06 381 3.717e+10 -6.829e-06 382 3.733e+10 -6.725e-06 383 3.768e+10 -6.494e-06 384 3.794e+10 -6.460e-06 385 3.821e+10 -6.425e-06 386 3.878e+10 -6.352e-06 387 4.000e+10 -6.195e-06 388 4.255e+10 -5.831e-06 389 4.734e+10 -4.986e-06 390 5.233e+10 -4.461e-06 391 6.137e+10 -3.529e-06 392 6.312e+10 -3.244e-06 393 7.707e+10 -2.250e-06 394 7.889e+10 -2.149e-06 395 9.467e+10 -1.517e-06 396 1.113e+11 -1.111e-06 397 1.262e+11 -9.042e-07 398 1.483e+11 -7.117e-07 399 1.578e+11 -6.341e-07 400 1.886e+11 -4.793e-07 401 2.209e+11 -3.864e-07 402 2.645e+11 -2.967e-07 403 3.156e+11 -2.216e-07 404 3.809e+11 -1.637e-07 405 4.837e+11 -1.086e-07 406 6.330e+11 -7.020e-08 407 8.519e+11 -4.285e-08 408 1.181e+12 -2.395e-08 409 1.691e+12 -1.385e-08 410 2.533e+12 -7.073e-09 411 4.020e+12 -3.949e-09 412 6.952e+12 -2.968e-09 413 1.319e+13 -2.655e-09 414 2.693e+13 -2.056e-09 415 3.156e+13 -1.879e-09 416 ANL-EBS-MD-000033 REV 00 ICN 1 VI-40 July 2000 Table VI-13. Listing for Data file “l4c4-LDTH60-1Dds_mc-ui-01.Gflux_3_5.dat” NUFT Version 3.0s (SUN/SOLARIS). Copyright (c) 1992. The NUFT code is copyrighted by the Regents of the University of California. All rights reserved. Operating System: SunOS s139.es.llnl.gov 5.5.1 Generic_103640-24 sun4u sparc SUNW,Ultra-2 C Compiler: CC: WorkShop Compilers 4.2 18 Sep 1997 C++ 4.2 patch 104631-04 Fortran Compiler: f77: WorkShop Compilers 4.2 04 Mar 1997 FORTRAN 77 4.2 patch 104529-01 Run Date: Wed Nov 3 23:00:12 1999 *l4c4-LDTH60-1Dds_mc-ui-01* 1.0130000e+01mm_yr,lineload, AML=60mtu_acre,LDTH601Dds_mi $flux Q.water.gas summed over connections time (s) flux (kg/s) (The columns of sequential numbers are time step indices added by the author for reference.) 1.578e+09 0.000e+00 1 1.578e+09 7.478e-06 2 1.578e+09 -1.848e-06 3 1.578e+09 -1.807e-06 4 1.578e+09 -3.373e-07 5 1.578e+09 -4.459e-07 6 1.578e+09 -4.648e-07 7 1.578e+09 -4.492e-07 8 1.578e+09 -4.182e-07 9 1.578e+09 -3.593e-07 10 1.578e+09 -3.529e-07 11 1.578e+09 -3.451e-07 12 1.578e+09 -3.594e-07 13 1.578e+09 -3.827e-07 14 1.578e+09 -4.128e-07 15 1.578e+09 -4.735e-07 16 1.579e+09 -5.629e-07 17 1.579e+09 -6.791e-07 18 1.579e+09 -7.874e-07 19 1.579e+09 -9.533e-07 20 1.580e+09 -1.173e-06 21 1.580e+09 -1.449e-06 22 1.580e+09 -1.787e-06 23 1.581e+09 -1.075e-06 24 1.581e+09 -1.006e-06 25 1.582e+09 -9.902e-07 26 1.583e+09 -9.911e-07 27 1.583e+09 -1.014e-06 28 1.584e+09 -1.051e-06 29 1.585e+09 -1.072e-06 30 1.587e+09 -1.194e-06 31 1.588e+09 -1.281e-06 32 1.590e+09 -1.389e-06 33 1.592e+09 -1.702e-06 34 1.593e+09 -1.742e-06 35 1.594e+09 -1.686e-06 36 1.595e+09 -1.630e-06 37 1.595e+09 -1.591e-06 38 1.596e+09 -1.568e-06 39 1.596e+09 -1.549e-06 40 1.597e+09 -1.585e-06 41 1.598e+09 -1.645e-06 42 1.599e+09 -1.684e-06 43 1.600e+09 -1.720e-06 44 1.600e+09 -1.731e-06 45 1.601e+09 -1.739e-06 46 1.601e+09 -1.804e-06 47 1.602e+09 -1.901e-06 48 1.603e+09 -2.040e-06 49 1.603e+09 -2.127e-06 50 1.604e+09 -2.195e-06 51 1.604e+09 -2.225e-06 52 1.604e+09 -2.264e-06 53 1.605e+09 -2.321e-06 54 1.605e+09 -2.386e-06 55 1.606e+09 -2.303e-06 56 1.606e+09 -2.249e-06 57 1.607e+09 -2.076e-06 58 1.608e+09 -1.873e-06 59 1.609e+09 -1.675e-06 60 1.610e+09 -1.586e-06 61 1.610e+09 -1.543e-06 62 1.610e+09 -1.482e-06 63 1.611e+09 -1.426e-06 64 1.611e+09 -1.376e-06 65 1.612e+09 -1.345e-06 66 1.613e+09 -1.298e-06 67 1.614e+09 -1.260e-06 68 1.615e+09 -1.180e-06 69 1.616e+09 -1.100e-06 70 1.617e+09 -1.052e-06 71 1.618e+09 -1.054e-06 72 1.620e+09 -1.092e-06 73 1.622e+09 -1.234e-06 74 1.624e+09 -1.502e-06 75 1.625e+09 -1.692e-06 76 1.626e+09 -1.690e-06 77 1.628e+09 -1.532e-06 78 1.628e+09 -1.463e-06 79 1.629e+09 -1.348e-06 80 1.629e+09 -1.209e-06 81 1.630e+09 -1.125e-06 82 1.631e+09 -9.803e-07 83 1.633e+09 -9.816e-07 84 1.635e+09 -9.405e-07 85 1.637e+09 -1.045e-06 86 1.641e+09 -1.105e-06 87 1.642e+09 -1.156e-06 88 1.643e+09 -1.165e-06 89 1.645e+09 -1.214e-06 90 1.647e+09 -1.157e-06 91 1.649e+09 -1.163e-06 92 1.651e+09 -1.357e-06 93 1.653e+09 -1.503e-06 94 1.654e+09 -1.484e-06 95 1.655e+09 -1.474e-06 96 1.657e+09 -1.399e-06 97 1.658e+09 -1.406e-06 98 1.660e+09 -1.361e-06 99 1.663e+09 -1.395e-06 100 1.666e+09 -1.521e-06 101 1.669e+09 -1.457e-06 102 1.672e+09 -1.483e-06 103 1.677e+09 -1.487e-06 104 1.682e+09 -1.421e-06 105 1.687e+09 -1.339e-06 106 1.692e+09 -1.189e-06 107 1.698e+09 -1.050e-06 108 1.704e+09 -1.039e-06 109 1.710e+09 -1.075e-06 110 1.716e+09 -1.023e-06 111 1.722e+09 -8.670e-07 112 1.726e+09 -8.593e-07 113 1.730e+09 -8.104e-07 114 1.736e+09 -7.636e-07 115 1.742e+09 -7.256e-07 116 1.749e+09 -7.133e-07 117 ANL-EBS-MD-000033 REV 00 ICN 1 VI-41 July 2000 1.753e+09 -7.147e-07 118 1.757e+09 -7.132e-07 119 1.762e+09 -6.899e-07 120 1.768e+09 -6.690e-07 121 1.775e+09 -6.683e-07 122 1.782e+09 -6.424e-07 123 1.786e+09 -6.278e-07 124 1.789e+09 -6.346e-07 125 1.792e+09 -6.399e-07 126 1.796e+09 -6.540e-07 127 1.801e+09 -6.438e-07 128 1.807e+09 -6.378e-07 129 1.813e+09 -6.433e-07 130 1.818e+09 -6.467e-07 131 1.826e+09 -6.281e-07 132 1.835e+09 -5.955e-07 133 1.842e+09 -5.610e-07 134 1.846e+09 -5.489e-07 135 1.850e+09 -5.443e-07 136 1.854e+09 -5.402e-07 137 1.859e+09 -5.288e-07 138 1.866e+09 -5.203e-07 139 1.874e+09 -5.168e-07 140 1.883e+09 -4.918e-07 141 1.890e+09 -4.795e-07 142 1.893e+09 -4.925e-07 143 1.896e+09 -5.042e-07 144 1.900e+09 -5.176e-07 145 1.906e+09 -5.168e-07 146 1.915e+09 -5.082e-07 147 1.927e+09 -5.153e-07 148 1.940e+09 -5.209e-07 149 1.954e+09 -4.778e-07 150 1.960e+09 -4.692e-07 151 1.966e+09 -4.666e-07 152 1.975e+09 -4.576e-07 153 1.986e+09 -4.326e-07 154 2.002e+09 -3.828e-07 155 2.017e+09 -3.476e-07 156 2.029e+09 -3.438e-07 157 2.041e+09 -3.400e-07 158 2.054e+09 -3.187e-07 159 2.074e+09 -2.899e-07 160 2.082e+09 -2.852e-07 161 2.091e+09 -2.896e-07 162 2.102e+09 -2.875e-07 163 2.117e+09 -2.685e-07 164 2.142e+09 -2.564e-07 165 2.175e+09 -2.496e-07 166 2.215e+09 -2.098e-07 167 2.271e+09 -1.801e-07 168 2.341e+09 -1.550e-07 169 2.346e+09 -1.534e-07 170 2.352e+09 -1.517e-07 171 2.364e+09 -1.484e-07 172 2.388e+09 -1.410e-07 173 2.432e+09 -1.288e-07 174 2.507e+09 -1.171e-07 175 2.512e+09 -1.176e-07 176 2.517e+09 -1.180e-07 177 2.527e+09 -1.181e-07 178 2.549e+09 -1.177e-07 179 2.592e+09 -1.184e-07 180 2.604e+09 -1.203e-07 181 2.617e+09 -1.207e-07 182 2.643e+09 -1.207e-07 183 2.694e+09 -1.189e-07 184 2.722e+09 -1.163e-07 185 2.749e+09 -1.140e-07 186 2.803e+09 -1.102e-07 187 2.897e+09 -1.002e-07 188 3.037e+09 -8.768e-08 189 3.156e+09 -7.661e-08 190 3.338e+09 -6.297e-08 191 3.600e+09 -4.556e-08 192 3.931e+09 -2.341e-08 193 4.299e+09 4.723e-09 194 4.581e+09 2.327e-08 195 4.864e+09 4.093e-08 196 5.232e+09 5.874e-08 197 5.759e+09 8.415e-08 198 5.954e+09 9.427e-08 199 6.052e+09 9.808e-08 200 6.150e+09 1.025e-07 201 6.312e+09 1.106e-07 202 6.503e+09 1.178e-07 203 6.867e+09 1.305e-07 204 7.485e+09 1.457e-07 205 7.935e+09 1.565e-07 206 8.047e+09 1.585e-07 207 8.160e+09 1.606e-07 208 8.392e+09 1.653e-07 209 8.838e+09 1.724e-07 210 9.302e+09 1.749e-07 211 9.467e+09 1.760e-07 212 9.931e+09 1.823e-07 213 1.020e+10 1.894e-07 214 1.046e+10 1.959e-07 215 1.065e+10 1.994e-07 216 1.084e+10 2.020e-07 217 1.102e+10 2.056e-07 218 1.121e+10 2.070e-07 219 1.155e+10 2.090e-07 220 1.206e+10 2.148e-07 221 1.231e+10 2.180e-07 222 1.256e+10 2.206e-07 223 1.262e+10 2.204e-07 224 1.313e+10 2.247e-07 225 1.321e+10 2.250e-07 226 1.330e+10 2.245e-07 227 1.348e+10 2.254e-07 228 1.372e+10 2.249e-07 229 1.396e+10 2.263e-07 230 1.440e+10 2.292e-07 231 1.452e+10 2.292e-07 232 1.465e+10 2.299e-07 233 1.477e+10 2.294e-07 234 1.489e+10 2.287e-07 235 1.514e+10 2.265e-07 236 1.546e+10 2.269e-07 237 1.578e+10 2.254e-07 238 1.594e+10 2.238e-07 239 1.611e+10 2.205e-07 240 1.628e+10 2.215e-07 241 1.645e+10 2.216e-07 242 1.663e+10 2.210e-07 243 1.681e+10 2.217e-07 244 1.700e+10 2.212e-07 245 1.718e+10 2.205e-07 246 1.751e+10 2.188e-07 247 1.802e+10 2.257e-07 248 1.853e+10 2.311e-07 249 1.882e+10 2.313e-07 250 1.910e+10 2.695e-07 251 1.913e+10 2.749e-07 252 1.915e+10 2.772e-07 253 1.920e+10 2.895e-07 254 1.931e+10 3.169e-07 255 1.935e+10 3.242e-07 256 1.939e+10 3.313e-07 257 1.948e+10 3.605e-07 258 1.953e+10 3.834e-07 259 1.958e+10 3.949e-07 260 1.963e+10 4.138e-07 261 1.968e+10 4.259e-07 262 1.978e+10 4.441e-07 263 1.986e+10 4.665e-07 264 1.993e+10 4.810e-07 265 2.002e+10 4.898e-07 266 2.009e+10 5.055e-07 267 2.016e+10 5.213e-07 268 2.030e+10 5.411e-07 269 2.040e+10 5.454e-07 270 2.051e+10 5.537e-07 271 2.071e+10 5.561e-07 272 2.074e+10 5.555e-07 273 2.077e+10 5.555e-07 274 2.084e+10 5.520e-07 275 2.086e+10 5.507e-07 276 2.088e+10 5.489e-07 277 2.094e+10 5.461e-07 278 2.099e+10 5.452e-07 279 2.103e+10 5.459e-07 280 2.114e+10 5.473e-07 281 2.125e+10 5.466e-07 282 2.136e+10 5.467e-07 283 2.145e+10 5.461e-07 284 2.154e+10 5.444e-07 285 2.173e+10 5.428e-07 286 2.209e+10 5.413e-07 287 2.247e+10 5.389e-07 288 2.320e+10 5.406e-07 289 2.377e+10 5.419e-07 290 2.433e+10 5.368e-07 291 2.467e+10 5.439e-07 292 2.501e+10 5.578e-07 293 2.516e+10 5.648e-07 294 2.524e+10 5.708e-07 295 2.532e+10 5.744e-07 296 2.536e+10 5.749e-07 297 2.541e+10 5.762e-07 298 2.550e+10 5.794e-07 299 2.565e+10 5.829e-07 300 2.573e+10 5.846e-07 301 2.580e+10 5.870e-07 302 2.596e+10 5.899e-07 303 2.630e+10 5.777e-07 304 2.663e+10 5.887e-07 305 2.695e+10 5.934e-07 306 ANL-EBS-MD-000033 REV 00 ICN 1 VI-42 July 2000 2.757e+10 6.236e-07 307 2.803e+10 6.848e-07 308 2.849e+10 7.618e-07 309 2.873e+10 7.618e-07 310 2.897e+10 7.451e-07 311 2.944e+10 7.109e-07 312 2.985e+10 6.785e-07 313 3.026e+10 6.398e-07 314 3.054e+10 5.006e-07 315 3.082e+10 3.591e-07 316 3.121e+10 3.750e-07 317 3.156e+10 3.487e-07 318 3.173e+10 3.220e-07 319 3.182e+10 3.092e-07 320 3.191e+10 2.958e-07 321 3.209e+10 2.699e-07 322 3.238e+10 2.444e-07 323 3.279e+10 3.597e-07 324 3.316e+10 3.327e-07 325 3.353e+10 5.101e-08 326 3.371e+10 -1.236e-07 327 3.388e+10 -1.962e-07 328 3.423e+10 -3.749e-07 329 3.450e+10 -4.097e-07 330 3.464e+10 -4.171e-07 331 3.478e+10 -3.483e-07 332 3.488e+10 -4.857e-07 333 3.498e+10 -5.283e-07 334 3.501e+10 -5.413e-07 335 3.503e+10 -5.491e-07 336 3.509e+10 -5.701e-07 337 3.516e+10 -5.914e-07 338 3.523e+10 -6.117e-07 339 3.537e+10 -6.547e-07 340 3.549e+10 -6.652e-07 341 3.561e+10 -6.860e-07 342 3.573e+10 -6.966e-07 343 3.576e+10 -7.190e-07 344 3.579e+10 -7.339e-07 345 3.586e+10 -7.594e-07 346 3.593e+10 -7.865e-07 347 3.600e+10 -7.962e-07 348 3.615e+10 -8.150e-07 349 3.642e+10 -8.343e-07 350 3.657e+10 -8.799e-07 351 3.671e+10 -8.980e-07 352 3.702e+10 -8.179e-07 353 3.702e+10 -1.085e-06 354 3.702e+10 -9.458e-07 355 3.702e+10 -8.631e-07 356 3.702e+10 -8.076e-07 357 3.702e+10 -7.910e-07 358 3.702e+10 -8.094e-07 359 3.702e+10 -8.097e-07 360 3.703e+10 -8.381e-07 361 3.703e+10 -8.452e-07 362 3.704e+10 -8.438e-07 363 3.704e+10 -8.459e-07 364 3.704e+10 -8.685e-07 365 3.704e+10 -8.386e-07 366 3.704e+10 -8.419e-07 367 3.704e+10 -8.422e-07 368 3.704e+10 -7.945e-07 369 3.704e+10 -7.817e-07 370 3.704e+10 -8.744e-07 371 3.704e+10 -8.726e-07 372 3.704e+10 -8.769e-07 373 3.704e+10 -8.772e-07 374 3.704e+10 -8.769e-07 375 3.704e+10 -8.759e-07 376 3.704e+10 -8.754e-07 377 3.704e+10 -8.760e-07 378 3.705e+10 -8.786e-07 379 3.706e+10 -8.827e-07 380 3.710e+10 -8.868e-07 381 3.717e+10 -8.934e-07 382 3.733e+10 -9.145e-07 383 3.768e+10 -9.596e-07 384 3.794e+10 -9.349e-07 385 3.821e+10 -9.125e-07 386 3.878e+10 -8.635e-07 387 4.000e+10 -7.599e-07 388 4.255e+10 -5.739e-07 389 4.734e+10 -3.459e-07 390 5.233e+10 -2.528e-07 391 6.137e+10 -1.479e-07 392 6.312e+10 -1.487e-07 393 7.707e+10 -8.140e-08 394 7.889e+10 -7.515e-08 395 9.467e+10 -4.373e-08 396 1.113e+11 -2.778e-08 397 1.262e+11 -2.106e-08 398 1.483e+11 -1.528e-08 399 1.578e+11 -1.137e-08 400 1.886e+11 -8.369e-09 401 2.209e+11 -6.402e-09 402 2.645e+11 -4.679e-09 403 3.156e+11 -3.078e-09 404 3.809e+11 -2.194e-09 405 4.837e+11 -1.286e-09 406 6.330e+11 -7.998e-10 407 8.519e+11 -4.595e-10 408 1.181e+12 -2.918e-10 409 1.691e+12 -2.001e-10 410 2.533e+12 -1.175e-10 411 4.020e+12 -7.705e-11 412 6.952e+12 -6.151e-11 413 1.319e+13 -5.721e-11 414 2.693e+13 -5.089e-11 415 3.156e+13 -4.850e-11 416 ANL-EBS-MD-000033 REV 00 ICN 1 VI-43 July 2000 Table VI-14. Listing for Data file “l4c4-LDTH60-1Dds_mc-ui-01.Gflux_4_5.dat” NUFT Version 3.0s (SUN/SOLARIS). Copyright (c) 1992. The NUFT code is copyrighted by the Regents of the University of California. All rights reserved. Operating System: SunOS s139.es.llnl.gov 5.5.1 Generic_103640-24 sun4u sparc SUNW,Ultra-2 C Compiler: CC: WorkShop Compilers 4.2 18 Sep 1997 C++ 4.2 patch 104631-04 Fortran Compiler: f77: WorkShop Compilers 4.2 04 Mar 1997 FORTRAN 77 4.2 patch 104529-01 Run Date: Wed Nov 3 23:00:12 1999 *l4c4-LDTH60-1Dds_mc-ui-01* 1.0130000e+01mm_yr,lineload, AML=60mtu_acre,LDTH601Dds_mi $flux Q.water.gas summed over connections time (s) flux (kg/s) (The columns of sequential numbers are time step indices added by the author for reference.) 1.578e+09 0.000e+00 1 1.578e+09 3.398e-06 2 1.578e+09 -2.358e-07 3 1.578e+09 -3.170e-07 4 1.578e+09 -4.412e-08 5 1.578e+09 -1.028e-07 6 1.578e+09 -1.294e-07 7 1.578e+09 -1.464e-07 8 1.578e+09 -1.576e-07 9 1.578e+09 -1.461e-07 10 1.578e+09 -1.494e-07 11 1.578e+09 -1.485e-07 12 1.578e+09 -1.586e-07 13 1.578e+09 -1.740e-07 14 1.578e+09 -1.939e-07 15 1.578e+09 -2.315e-07 16 1.579e+09 -2.795e-07 17 1.579e+09 -3.289e-07 18 1.579e+09 -3.399e-07 19 1.579e+09 -3.843e-07 20 1.580e+09 -4.442e-07 21 1.580e+09 -5.165e-07 22 1.580e+09 -5.993e-07 23 1.581e+09 -4.677e-07 24 1.581e+09 -4.624e-07 25 1.582e+09 -4.657e-07 26 1.583e+09 -4.796e-07 27 1.583e+09 -5.032e-07 28 1.584e+09 -5.339e-07 29 1.585e+09 -5.585e-07 30 1.587e+09 -5.903e-07 31 1.588e+09 -6.234e-07 32 1.590e+09 -6.722e-07 33 1.592e+09 -8.187e-07 34 1.593e+09 -8.406e-07 35 1.594e+09 -8.133e-07 36 1.595e+09 -7.862e-07 37 1.595e+09 -7.674e-07 38 1.596e+09 -7.564e-07 39 1.596e+09 -7.458e-07 40 1.597e+09 -7.605e-07 41 1.598e+09 -7.840e-07 42 1.599e+09 -7.972e-07 43 1.600e+09 -8.058e-07 44 1.600e+09 -8.071e-07 45 1.601e+09 -8.063e-07 46 1.601e+09 -8.242e-07 47 1.602e+09 -8.658e-07 48 1.603e+09 -9.299e-07 49 1.603e+09 -9.694e-07 50 1.604e+09 -9.961e-07 51 1.604e+09 -1.009e-06 52 1.604e+09 -1.027e-06 53 1.605e+09 -1.053e-06 54 1.605e+09 -1.083e-06 55 1.606e+09 -1.048e-06 56 1.606e+09 -1.026e-06 57 1.607e+09 -9.494e-07 58 1.608e+09 -8.590e-07 59 1.609e+09 -7.646e-07 60 1.610e+09 -7.036e-07 61 1.610e+09 -6.765e-07 62 1.610e+09 -6.467e-07 63 1.611e+09 -6.181e-07 64 1.611e+09 -5.915e-07 65 1.612e+09 -5.713e-07 66 1.613e+09 -5.431e-07 67 1.614e+09 -5.160e-07 68 1.615e+09 -4.741e-07 69 1.616e+09 -4.335e-07 70 1.617e+09 -4.042e-07 71 1.618e+09 -3.978e-07 72 1.620e+09 -4.130e-07 73 1.622e+09 -4.783e-07 74 1.624e+09 -5.830e-07 75 1.625e+09 -6.380e-07 76 1.626e+09 -6.318e-07 77 1.628e+09 -5.771e-07 78 1.628e+09 -5.580e-07 79 1.629e+09 -5.216e-07 80 1.629e+09 -4.777e-07 81 1.630e+09 -4.557e-07 82 1.631e+09 -4.107e-07 83 1.633e+09 -4.210e-07 84 1.635e+09 -4.062e-07 85 1.637e+09 -4.452e-07 86 1.641e+09 -4.493e-07 87 1.642e+09 -4.646e-07 88 1.643e+09 -4.591e-07 89 1.645e+09 -4.683e-07 90 1.647e+09 -4.397e-07 91 1.649e+09 -4.283e-07 92 1.651e+09 -4.822e-07 93 1.653e+09 -5.131e-07 94 1.654e+09 -5.066e-07 95 1.655e+09 -5.071e-07 96 1.657e+09 -4.961e-07 97 1.658e+09 -5.089e-07 98 1.660e+09 -4.988e-07 99 1.663e+09 -5.135e-07 100 1.666e+09 -5.658e-07 101 1.669e+09 -5.421e-07 102 1.672e+09 -5.515e-07 103 1.677e+09 -5.548e-07 104 1.682e+09 -5.418e-07 105 1.687e+09 -5.260e-07 106 1.692e+09 -4.822e-07 107 1.698e+09 -4.382e-07 108 1.704e+09 -4.337e-07 109 1.710e+09 -4.438e-07 110 1.716e+09 -4.239e-07 111 1.722e+09 -3.725e-07 112 1.726e+09 -3.753e-07 113 1.730e+09 -3.606e-07 114 ANL-EBS-MD-000033 REV 00 ICN 1 VI-44 July 2000 1.736e+09 -3.470e-07 115 1.742e+09 -3.358e-07 116 1.749e+09 -3.331e-07 117 1.753e+09 -3.340e-07 118 1.757e+09 -3.337e-07 119 1.762e+09 -3.253e-07 120 1.768e+09 -3.174e-07 121 1.775e+09 -3.149e-07 122 1.782e+09 -3.036e-07 123 1.786e+09 -2.973e-07 124 1.789e+09 -2.990e-07 125 1.792e+09 -3.002e-07 126 1.796e+09 -3.047e-07 127 1.801e+09 -3.007e-07 128 1.807e+09 -2.985e-07 129 1.813e+09 -3.001e-07 130 1.818e+09 -3.006e-07 131 1.826e+09 -2.930e-07 132 1.835e+09 -2.796e-07 133 1.842e+09 -2.653e-07 134 1.846e+09 -2.602e-07 135 1.850e+09 -2.579e-07 136 1.854e+09 -2.561e-07 137 1.859e+09 -2.512e-07 138 1.866e+09 -2.470e-07 139 1.874e+09 -2.449e-07 140 1.883e+09 -2.343e-07 141 1.890e+09 -2.286e-07 142 1.893e+09 -2.334e-07 143 1.896e+09 -2.377e-07 144 1.900e+09 -2.426e-07 145 1.906e+09 -2.418e-07 146 1.915e+09 -2.379e-07 147 1.927e+09 -2.401e-07 148 1.940e+09 -2.418e-07 149 1.954e+09 -2.243e-07 150 1.960e+09 -2.209e-07 151 1.966e+09 -2.200e-07 152 1.975e+09 -2.166e-07 153 1.986e+09 -2.069e-07 154 2.002e+09 -1.872e-07 155 2.017e+09 -1.732e-07 156 2.029e+09 -1.721e-07 157 2.041e+09 -1.707e-07 158 2.054e+09 -1.625e-07 159 2.074e+09 -1.507e-07 160 2.082e+09 -1.489e-07 161 2.091e+09 -1.510e-07 162 2.102e+09 -1.504e-07 163 2.117e+09 -1.429e-07 164 2.142e+09 -1.384e-07 165 2.175e+09 -1.363e-07 166 2.215e+09 -1.206e-07 167 2.271e+09 -1.088e-07 168 2.341e+09 -9.881e-08 169 2.346e+09 -9.820e-08 170 2.352e+09 -9.746e-08 171 2.364e+09 -9.605e-08 172 2.388e+09 -9.295e-08 173 2.432e+09 -8.781e-08 174 2.507e+09 -8.296e-08 175 2.512e+09 -8.315e-08 176 2.517e+09 -8.332e-08 177 2.527e+09 -8.340e-08 178 2.549e+09 -8.324e-08 179 2.592e+09 -8.364e-08 180 2.604e+09 -8.445e-08 181 2.617e+09 -8.460e-08 182 2.643e+09 -8.464e-08 183 2.694e+09 -8.398e-08 184 2.722e+09 -8.292e-08 185 2.749e+09 -8.199e-08 186 2.803e+09 -8.044e-08 187 2.897e+09 -7.629e-08 188 3.037e+09 -7.105e-08 189 3.156e+09 -6.633e-08 190 3.338e+09 -6.071e-08 191 3.600e+09 -5.356e-08 192 3.931e+09 -4.429e-08 193 4.299e+09 -3.213e-08 194 4.581e+09 -2.394e-08 195 4.864e+09 -1.630e-08 196 5.232e+09 -8.831e-09 197 5.759e+09 2.292e-09 198 5.954e+09 6.932e-09 199 6.052e+09 8.770e-09 200 6.150e+09 1.083e-08 201 6.312e+09 1.474e-08 202 6.503e+09 1.805e-08 203 6.867e+09 2.400e-08 204 7.485e+09 3.172e-08 205 7.935e+09 3.713e-08 206 8.047e+09 3.814e-08 207 8.160e+09 3.920e-08 208 8.392e+09 4.157e-08 209 8.838e+09 4.538e-08 210 9.302e+09 4.708e-08 211 9.467e+09 4.780e-08 212 9.931e+09 5.111e-08 213 1.020e+10 5.467e-08 214 1.046e+10 5.808e-08 215 1.065e+10 5.995e-08 216 1.084e+10 6.148e-08 217 1.102e+10 6.344e-08 218 1.121e+10 6.431e-08 219 1.155e+10 6.555e-08 220 1.206e+10 6.889e-08 221 1.231e+10 7.069e-08 222 1.256e+10 7.219e-08 223 1.262e+10 7.220e-08 224 1.313e+10 7.471e-08 225 1.321e+10 7.498e-08 226 1.330e+10 7.482e-08 227 1.348e+10 7.543e-08 228 1.372e+10 7.545e-08 229 1.396e+10 7.638e-08 230 1.440e+10 7.807e-08 231 1.452e+10 7.817e-08 232 1.465e+10 7.859e-08 233 1.477e+10 7.845e-08 234 1.489e+10 7.816e-08 235 1.514e+10 7.732e-08 236 1.546e+10 7.766e-08 237 1.578e+10 7.717e-08 238 1.594e+10 7.641e-08 239 1.611e+10 7.476e-08 240 1.628e+10 7.531e-08 241 1.645e+10 7.540e-08 242 1.663e+10 7.517e-08 243 1.681e+10 7.557e-08 244 1.700e+10 7.544e-08 245 1.718e+10 7.528e-08 246 1.751e+10 7.453e-08 247 1.802e+10 7.792e-08 248 1.853e+10 8.055e-08 249 1.882e+10 8.057e-08 250 1.910e+10 9.787e-08 251 1.913e+10 1.005e-07 252 1.915e+10 1.015e-07 253 1.920e+10 1.077e-07 254 1.931e+10 1.210e-07 255 1.935e+10 1.246e-07 256 1.939e+10 1.277e-07 257 1.948e+10 1.410e-07 258 1.953e+10 1.522e-07 259 1.958e+10 1.580e-07 260 1.963e+10 1.675e-07 261 1.968e+10 1.737e-07 262 1.978e+10 1.837e-07 263 1.986e+10 1.950e-07 264 1.993e+10 2.026e-07 265 2.002e+10 2.074e-07 266 2.009e+10 2.149e-07 267 2.016e+10 2.226e-07 268 2.030e+10 2.344e-07 269 2.040e+10 2.374e-07 270 2.051e+10 2.424e-07 271 2.071e+10 2.454e-07 272 2.074e+10 2.454e-07 273 2.077e+10 2.457e-07 274 2.084e+10 2.450e-07 275 2.086e+10 2.444e-07 276 2.088e+10 2.441e-07 277 2.094e+10 2.439e-07 278 2.099e+10 2.445e-07 279 2.103e+10 2.457e-07 280 2.114e+10 2.473e-07 281 2.125e+10 2.479e-07 282 2.136e+10 2.485e-07 283 2.145e+10 2.486e-07 284 2.154e+10 2.477e-07 285 2.173e+10 2.468e-07 286 2.209e+10 2.456e-07 287 2.247e+10 2.495e-07 288 2.320e+10 2.566e-07 289 2.377e+10 2.593e-07 290 2.433e+10 2.596e-07 291 2.467e+10 2.668e-07 292 2.501e+10 2.744e-07 293 2.516e+10 2.781e-07 294 2.524e+10 2.803e-07 295 2.532e+10 2.820e-07 296 2.536e+10 2.820e-07 297 2.541e+10 2.826e-07 298 2.550e+10 2.839e-07 299 2.565e+10 2.854e-07 300 2.573e+10 2.862e-07 301 2.580e+10 2.872e-07 302 2.596e+10 2.841e-07 303 ANL-EBS-MD-000033 REV 00 ICN 1 VI-45 July 2000 2.630e+10 2.771e-07 304 2.663e+10 2.797e-07 305 2.695e+10 2.825e-07 306 2.757e+10 2.995e-07 307 2.803e+10 3.233e-07 308 2.849e+10 3.272e-07 309 2.873e+10 3.467e-07 310 2.897e+10 3.597e-07 311 2.944e+10 3.911e-07 312 2.985e+10 4.200e-07 313 3.026e+10 4.426e-07 314 3.054e+10 4.073e-07 315 3.082e+10 3.759e-07 316 3.121e+10 4.467e-07 317 3.156e+10 5.016e-07 318 3.173e+10 5.163e-07 319 3.182e+10 5.229e-07 320 3.191e+10 5.290e-07 321 3.209e+10 5.412e-07 322 3.238e+10 5.756e-07 323 3.279e+10 7.419e-07 324 3.316e+10 6.458e-07 325 3.353e+10 2.807e-07 326 3.371e+10 4.873e-08 327 3.388e+10 -1.894e-08 328 3.423e+10 -1.302e-07 329 3.450e+10 -1.539e-07 330 3.464e+10 -1.591e-07 331 3.478e+10 -1.195e-07 332 3.488e+10 -2.003e-07 333 3.498e+10 -2.254e-07 334 3.501e+10 -2.331e-07 335 3.503e+10 -2.377e-07 336 3.509e+10 -2.501e-07 337 3.516e+10 -2.628e-07 338 3.523e+10 -2.748e-07 339 3.537e+10 -3.004e-07 340 3.549e+10 -3.068e-07 341 3.561e+10 -3.198e-07 342 3.573e+10 -3.263e-07 343 3.576e+10 -3.398e-07 344 3.579e+10 -3.487e-07 345 3.586e+10 -3.638e-07 346 3.593e+10 -3.800e-07 347 3.600e+10 -3.859e-07 348 3.615e+10 -3.974e-07 349 3.642e+10 -4.099e-07 350 3.657e+10 -4.377e-07 351 3.671e+10 -4.490e-07 352 3.702e+10 -4.039e-07 353 3.702e+10 -5.925e-07 354 3.702e+10 -4.908e-07 355 3.702e+10 -4.308e-07 356 3.702e+10 -3.994e-07 357 3.702e+10 -3.904e-07 358 3.702e+10 -4.011e-07 359 3.702e+10 -4.017e-07 360 3.703e+10 -4.174e-07 361 3.703e+10 -4.214e-07 362 3.704e+10 -4.208e-07 363 3.704e+10 -4.220e-07 364 3.704e+10 -4.341e-07 365 3.704e+10 -4.184e-07 366 3.704e+10 -4.198e-07 367 3.704e+10 -4.198e-07 368 3.704e+10 -3.925e-07 369 3.704e+10 -3.855e-07 370 3.704e+10 -4.379e-07 371 3.704e+10 -4.370e-07 372 3.704e+10 -4.394e-07 373 3.704e+10 -4.394e-07 374 3.704e+10 -4.391e-07 375 3.704e+10 -4.384e-07 376 3.704e+10 -4.380e-07 377 3.704e+10 -4.384e-07 378 3.705e+10 -4.399e-07 379 3.706e+10 -4.424e-07 380 3.710e+10 -4.448e-07 381 3.717e+10 -4.490e-07 382 3.733e+10 -4.621e-07 383 3.768e+10 -4.903e-07 384 3.794e+10 -4.774e-07 385 3.821e+10 -4.657e-07 386 3.878e+10 -4.402e-07 387 4.000e+10 -3.852e-07 388 4.255e+10 -2.850e-07 389 4.734e+10 -1.673e-07 390 5.233e+10 -1.184e-07 391 6.137e+10 -7.596e-08 392 6.312e+10 -7.652e-08 393 7.707e+10 -4.800e-08 394 7.889e+10 -4.513e-08 395 9.467e+10 -2.970e-08 396 1.113e+11 -2.152e-08 397 1.262e+11 -1.625e-08 398 1.483e+11 -1.255e-08 399 1.578e+11 -1.045e-08 400 1.886e+11 -8.120e-09 401 2.209e+11 -6.208e-09 402 2.645e+11 -4.656e-09 403 3.156e+11 -3.379e-09 404 3.809e+11 -2.425e-09 405 4.837e+11 -1.500e-09 406 6.330e+11 -9.498e-10 407 8.519e+11 -5.652e-10 408 1.181e+12 -3.473e-10 409 1.691e+12 -1.991e-10 410 2.533e+12 -1.030e-10 411 4.020e+12 -5.968e-11 412 6.952e+12 -4.388e-11 413 1.319e+13 -3.908e-11 414 2.693e+13 -3.060e-11 415 3.156e+13 -2.793e-11 416 ANL-EBS-MD-000033 REV 00 ICN 1 VI-46 July 2000 Table VI-15. Listing for Data file “l4c4-LDTH60-1Dds_mc-ui-01.Gflux_5_6.dat” NUFT Version 3.0s (SUN/SOLARIS). Copyright (c) 1992. The NUFT code is copyrighted by the Regents of the University of California. All rights reserved. Operating System: SunOS s139.es.llnl.gov 5.5.1 Generic_103640-24 sun4u sparc SUNW,Ultra-2 C Compiler: CC: WorkShop Compilers 4.2 18 Sep 1997 C++ 4.2 patch 104631-04 Fortran Compiler: f77: WorkShop Compilers 4.2 04 Mar 1997 FORTRAN 77 4.2 patch 104529-01 Run Date: Wed Nov 3 23:00:12 1999 *l4c4-LDTH60-1Dds_mc-ui-01* 1.0130000e+01mm_yr,lineload, AML=60mtu_acre,LDTH601Dds_mi $flux Q.water.gas summed over connections time (s) flux (kg/s) (The columns of sequential numbers are time step indices added by the author for reference.) 1.578e+09 0.000e+00 1 1.578e+09 5.570e-06 2 1.578e+09 1.482e-06 3 1.578e+09 8.637e-07 4 1.578e+09 1.766e-07 5 1.578e+09 1.101e-07 6 1.578e+09 8.906e-08 7 1.578e+09 8.316e-08 8 1.578e+09 8.200e-08 9 1.578e+09 2.942e-08 10 1.578e+09 -8.589e-09 11 1.578e+09 -3.790e-08 12 1.578e+09 -8.715e-08 13 1.578e+09 -1.091e-07 14 1.578e+09 -1.167e-07 15 1.578e+09 -1.509e-07 16 1.579e+09 -1.274e-07 17 1.579e+09 -1.726e-07 18 1.579e+09 -2.780e-07 19 1.579e+09 -3.087e-07 20 1.580e+09 -3.360e-07 21 1.580e+09 -3.489e-07 22 1.580e+09 -3.735e-07 23 1.581e+09 -5.194e-07 24 1.581e+09 -5.772e-07 25 1.582e+09 -5.997e-07 26 1.583e+09 -6.601e-07 27 1.583e+09 -7.334e-07 28 1.584e+09 -8.287e-07 29 1.585e+09 -9.457e-07 30 1.587e+09 -1.129e-06 31 1.588e+09 -1.284e-06 32 1.590e+09 -1.524e-06 33 1.592e+09 -2.169e-06 34 1.593e+09 -2.367e-06 35 1.594e+09 -2.376e-06 36 1.595e+09 -2.323e-06 37 1.595e+09 -2.279e-06 38 1.596e+09 -2.273e-06 39 1.596e+09 -2.288e-06 40 1.597e+09 -2.366e-06 41 1.598e+09 -2.498e-06 42 1.599e+09 -2.698e-06 43 1.600e+09 -2.865e-06 44 1.600e+09 -2.918e-06 45 1.601e+09 -2.968e-06 46 1.601e+09 -3.086e-06 47 1.602e+09 -3.308e-06 48 1.603e+09 -3.670e-06 49 1.603e+09 -3.895e-06 50 1.604e+09 -4.042e-06 51 1.604e+09 -4.100e-06 52 1.604e+09 -4.157e-06 53 1.605e+09 -4.261e-06 54 1.605e+09 -4.381e-06 55 1.606e+09 -4.222e-06 56 1.606e+09 -4.078e-06 57 1.607e+09 -3.723e-06 58 1.608e+09 -3.300e-06 59 1.609e+09 -2.844e-06 60 1.610e+09 -2.562e-06 61 1.610e+09 -2.463e-06 62 1.610e+09 -2.370e-06 63 1.611e+09 -2.279e-06 64 1.611e+09 -2.187e-06 65 1.612e+09 -2.108e-06 66 1.613e+09 -1.996e-06 67 1.614e+09 -1.866e-06 68 1.615e+09 -1.705e-06 69 1.616e+09 -1.553e-06 70 1.617e+09 -1.422e-06 71 1.618e+09 -1.334e-06 72 1.620e+09 -1.305e-06 73 1.622e+09 -1.359e-06 74 1.624e+09 -1.454e-06 75 1.625e+09 -1.459e-06 76 1.626e+09 -1.375e-06 77 1.628e+09 -1.308e-06 78 1.628e+09 -1.308e-06 79 1.629e+09 -1.296e-06 80 1.629e+09 -1.272e-06 81 1.630e+09 -1.270e-06 82 1.631e+09 -1.215e-06 83 1.633e+09 -1.227e-06 84 1.635e+09 -1.197e-06 85 1.637e+09 -1.189e-06 86 1.641e+09 -1.081e-06 87 1.642e+09 -1.042e-06 88 1.643e+09 -9.906e-07 89 1.645e+09 -9.634e-07 90 1.647e+09 -8.920e-07 91 1.649e+09 -8.449e-07 92 1.651e+09 -8.460e-07 93 1.653e+09 -8.036e-07 94 1.654e+09 -7.905e-07 95 1.655e+09 -7.990e-07 96 1.657e+09 -8.323e-07 97 1.658e+09 -8.795e-07 98 1.660e+09 -8.685e-07 99 1.663e+09 -8.929e-07 100 1.666e+09 -9.609e-07 101 1.669e+09 -9.200e-07 102 1.672e+09 -8.973e-07 103 1.677e+09 -8.794e-07 104 1.682e+09 -8.711e-07 105 1.687e+09 -8.523e-07 106 1.692e+09 -7.650e-07 107 1.698e+09 -6.523e-07 108 1.704e+09 -6.003e-07 109 1.710e+09 -6.170e-07 110 1.716e+09 -5.941e-07 111 1.722e+09 -5.424e-07 112 1.726e+09 -5.683e-07 113 1.730e+09 -5.664e-07 114 1.736e+09 -5.635e-07 115 1.742e+09 -5.642e-07 116 1.749e+09 -5.888e-07 117 ANL-EBS-MD-000033 REV 00 ICN 1 VI-47 July 2000 1.753e+09 -6.068e-07 118 1.757e+09 -6.178e-07 119 1.762e+09 -6.119e-07 120 1.768e+09 -5.988e-07 121 1.775e+09 -5.905e-07 122 1.782e+09 -5.652e-07 123 1.786e+09 -5.520e-07 124 1.789e+09 -5.533e-07 125 1.792e+09 -5.546e-07 126 1.796e+09 -5.632e-07 127 1.801e+09 -5.601e-07 128 1.807e+09 -5.598e-07 129 1.813e+09 -5.641e-07 130 1.818e+09 -5.647e-07 131 1.826e+09 -5.509e-07 132 1.835e+09 -5.276e-07 133 1.842e+09 -5.040e-07 134 1.846e+09 -4.952e-07 135 1.850e+09 -4.888e-07 136 1.854e+09 -4.827e-07 137 1.859e+09 -4.728e-07 138 1.866e+09 -4.628e-07 139 1.874e+09 -4.550e-07 140 1.883e+09 -4.348e-07 141 1.890e+09 -4.217e-07 142 1.893e+09 -4.270e-07 143 1.896e+09 -4.316e-07 144 1.900e+09 -4.363e-07 145 1.906e+09 -4.317e-07 146 1.915e+09 -4.215e-07 147 1.927e+09 -4.193e-07 148 1.940e+09 -4.161e-07 149 1.954e+09 -3.851e-07 150 1.960e+09 -3.779e-07 151 1.966e+09 -3.739e-07 152 1.975e+09 -3.657e-07 153 1.986e+09 -3.485e-07 154 2.002e+09 -3.184e-07 155 2.017e+09 -2.985e-07 156 2.029e+09 -2.963e-07 157 2.041e+09 -2.917e-07 158 2.054e+09 -2.822e-07 159 2.074e+09 -2.651e-07 160 2.082e+09 -2.619e-07 161 2.091e+09 -2.638e-07 162 2.102e+09 -2.617e-07 163 2.117e+09 -2.496e-07 164 2.142e+09 -2.419e-07 165 2.175e+09 -2.374e-07 166 2.215e+09 -2.139e-07 167 2.271e+09 -1.972e-07 168 2.341e+09 -1.817e-07 169 2.346e+09 -1.810e-07 170 2.352e+09 -1.793e-07 171 2.364e+09 -1.780e-07 172 2.388e+09 -1.738e-07 173 2.432e+09 -1.672e-07 174 2.507e+09 -1.624e-07 175 2.512e+09 -1.630e-07 176 2.517e+09 -1.634e-07 177 2.527e+09 -1.639e-07 178 2.549e+09 -1.640e-07 179 2.592e+09 -1.652e-07 180 2.604e+09 -1.663e-07 181 2.617e+09 -1.664e-07 182 2.643e+09 -1.663e-07 183 2.694e+09 -1.643e-07 184 2.722e+09 -1.617e-07 185 2.749e+09 -1.595e-07 186 2.803e+09 -1.558e-07 187 2.897e+09 -1.457e-07 188 3.037e+09 -1.336e-07 189 3.156e+09 -1.231e-07 190 3.338e+09 -1.107e-07 191 3.600e+09 -9.501e-08 192 3.931e+09 -7.611e-08 193 4.299e+09 -5.290e-08 194 4.581e+09 -3.615e-08 195 4.864e+09 -2.027e-08 196 5.232e+09 -4.500e-09 197 5.759e+09 1.763e-08 198 5.954e+09 2.630e-08 199 6.052e+09 3.001e-08 200 6.150e+09 3.392e-08 201 6.312e+09 4.119e-08 202 6.503e+09 4.759e-08 203 6.867e+09 5.861e-08 204 7.485e+09 7.358e-08 205 7.935e+09 8.432e-08 206 8.047e+09 8.638e-08 207 8.160e+09 8.860e-08 208 8.392e+09 9.300e-08 209 8.838e+09 9.990e-08 210 9.302e+09 1.042e-07 211 9.467e+09 1.060e-07 212 9.931e+09 1.127e-07 213 1.020e+10 1.187e-07 214 1.046e+10 1.238e-07 215 1.065e+10 1.268e-07 216 1.084e+10 1.285e-07 217 1.102e+10 1.321e-07 218 1.121e+10 1.337e-07 219 1.155e+10 1.362e-07 220 1.206e+10 1.417e-07 221 1.231e+10 1.444e-07 222 1.256e+10 1.466e-07 223 1.262e+10 1.464e-07 224 1.313e+10 1.502e-07 225 1.321e+10 1.505e-07 226 1.330e+10 1.500e-07 227 1.348e+10 1.513e-07 228 1.372e+10 1.513e-07 229 1.396e+10 1.523e-07 230 1.440e+10 1.542e-07 231 1.452e+10 1.539e-07 232 1.465e+10 1.548e-07 233 1.477e+10 1.544e-07 234 1.489e+10 1.544e-07 235 1.514e+10 1.526e-07 236 1.546e+10 1.520e-07 237 1.578e+10 1.500e-07 238 1.594e+10 1.486e-07 239 1.611e+10 1.452e-07 240 1.628e+10 1.456e-07 241 1.645e+10 1.448e-07 242 1.663e+10 1.436e-07 243 1.681e+10 1.434e-07 244 1.700e+10 1.423e-07 245 1.718e+10 1.415e-07 246 1.751e+10 1.404e-07 247 1.802e+10 1.452e-07 248 1.853e+10 1.491e-07 249 1.882e+10 1.490e-07 250 1.910e+10 1.791e-07 251 1.913e+10 1.830e-07 252 1.915e+10 1.849e-07 253 1.920e+10 1.940e-07 254 1.931e+10 2.161e-07 255 1.935e+10 2.227e-07 256 1.939e+10 2.293e-07 257 1.948e+10 2.529e-07 258 1.953e+10 2.710e-07 259 1.958e+10 2.812e-07 260 1.963e+10 2.976e-07 261 1.968e+10 3.093e-07 262 1.978e+10 3.298e-07 263 1.986e+10 3.510e-07 264 1.993e+10 3.673e-07 265 2.002e+10 3.770e-07 266 2.009e+10 3.905e-07 267 2.016e+10 4.032e-07 268 2.030e+10 4.203e-07 269 2.040e+10 4.239e-07 270 2.051e+10 4.308e-07 271 2.071e+10 4.345e-07 272 2.074e+10 4.347e-07 273 2.077e+10 4.354e-07 274 2.084e+10 4.349e-07 275 2.086e+10 4.347e-07 276 2.088e+10 4.338e-07 277 2.094e+10 4.329e-07 278 2.099e+10 4.332e-07 279 2.103e+10 4.341e-07 280 2.114e+10 4.352e-07 281 2.125e+10 4.341e-07 282 2.136e+10 4.333e-07 283 2.145e+10 4.309e-07 284 2.154e+10 4.277e-07 285 2.173e+10 4.217e-07 286 2.209e+10 4.150e-07 287 2.247e+10 4.138e-07 288 2.320e+10 4.192e-07 289 2.377e+10 4.220e-07 290 2.433e+10 4.204e-07 291 2.467e+10 4.201e-07 292 2.501e+10 4.248e-07 293 2.516e+10 4.274e-07 294 2.524e+10 4.263e-07 295 2.532e+10 4.263e-07 296 2.536e+10 4.255e-07 297 2.541e+10 4.252e-07 298 2.550e+10 4.247e-07 299 2.565e+10 4.236e-07 300 2.573e+10 4.233e-07 301 2.580e+10 4.232e-07 302 2.596e+10 4.206e-07 303 2.630e+10 4.137e-07 304 2.663e+10 4.048e-07 305 2.695e+10 4.015e-07 306 ANL-EBS-MD-000033 REV 00 ICN 1 VI-48 July 2000 2.757e+10 3.894e-07 307 2.803e+10 3.908e-07 308 2.849e+10 3.931e-07 309 2.873e+10 3.946e-07 310 2.897e+10 3.995e-07 311 2.944e+10 4.168e-07 312 2.985e+10 4.352e-07 313 3.026e+10 4.565e-07 314 3.054e+10 4.529e-07 315 3.082e+10 4.541e-07 316 3.121e+10 4.649e-07 317 3.156e+10 4.993e-07 318 3.173e+10 5.150e-07 319 3.182e+10 5.244e-07 320 3.191e+10 5.324e-07 321 3.209e+10 5.569e-07 322 3.238e+10 5.969e-07 323 3.279e+10 6.346e-07 324 3.316e+10 6.858e-07 325 3.353e+10 7.948e-07 326 3.371e+10 8.534e-07 327 3.388e+10 9.021e-07 328 3.423e+10 1.248e-06 329 3.450e+10 9.945e-07 330 3.464e+10 9.528e-07 331 3.478e+10 1.162e-06 332 3.488e+10 7.316e-07 333 3.498e+10 6.002e-07 334 3.501e+10 5.588e-07 335 3.503e+10 5.351e-07 336 3.509e+10 4.695e-07 337 3.516e+10 4.017e-07 338 3.523e+10 3.368e-07 339 3.537e+10 1.985e-07 340 3.549e+10 1.567e-07 341 3.561e+10 8.784e-08 342 3.573e+10 5.078e-08 343 3.576e+10 -1.900e-08 344 3.579e+10 -6.391e-08 345 3.586e+10 -1.428e-07 346 3.593e+10 -2.259e-07 347 3.600e+10 -2.591e-07 348 3.615e+10 -3.279e-07 349 3.642e+10 -4.109e-07 350 3.657e+10 -5.583e-07 351 3.671e+10 -6.252e-07 352 3.702e+10 -4.456e-07 353 3.702e+10 -1.676e-06 354 3.702e+10 -9.752e-07 355 3.702e+10 -6.260e-07 356 3.702e+10 -4.868e-07 357 3.702e+10 -4.532e-07 358 3.702e+10 -4.840e-07 359 3.702e+10 -4.922e-07 360 3.703e+10 -5.468e-07 361 3.703e+10 -5.644e-07 362 3.704e+10 -5.652e-07 363 3.704e+10 -5.710e-07 364 3.704e+10 -6.036e-07 365 3.704e+10 -5.664e-07 366 3.704e+10 -5.620e-07 367 3.704e+10 -5.589e-07 368 3.704e+10 -4.561e-07 369 3.704e+10 -4.399e-07 370 3.704e+10 -6.190e-07 371 3.704e+10 -6.199e-07 372 3.704e+10 -6.279e-07 373 3.704e+10 -6.260e-07 374 3.704e+10 -6.229e-07 375 3.704e+10 -6.190e-07 376 3.704e+10 -6.176e-07 377 3.704e+10 -6.204e-07 378 3.705e+10 -6.283e-07 379 3.706e+10 -6.397e-07 380 3.710e+10 -6.518e-07 381 3.717e+10 -6.764e-07 382 3.733e+10 -7.550e-07 383 3.768e+10 -9.301e-07 384 3.794e+10 -8.998e-07 385 3.821e+10 -8.720e-07 386 3.878e+10 -8.088e-07 387 4.000e+10 -6.639e-07 388 4.255e+10 -3.683e-07 389 4.734e+10 -3.157e-08 390 5.233e+10 9.259e-08 391 6.137e+10 1.582e-07 392 6.312e+10 1.175e-07 393 7.707e+10 1.091e-07 394 7.889e+10 1.070e-07 395 9.467e+10 8.489e-08 396 1.113e+11 6.862e-08 397 1.262e+11 5.766e-08 398 1.483e+11 4.500e-08 399 1.578e+11 4.208e-08 400 1.886e+11 3.195e-08 401 2.209e+11 2.512e-08 402 2.645e+11 1.971e-08 403 3.156e+11 1.564e-08 404 3.809e+11 1.213e-08 405 4.837e+11 8.291e-09 406 6.330e+11 5.391e-09 407 8.519e+11 3.299e-09 408 1.181e+12 1.797e-09 409 1.691e+12 1.020e-09 410 2.533e+12 5.032e-10 411 4.020e+12 2.651e-10 412 6.952e+12 1.877e-10 413 1.319e+13 1.629e-10 414 2.693e+13 1.176e-10 415 3.156e+13 1.034e-10 416 ANL-EBS-MD-000033 REV 00 ICN 1 VI-49 July 2000 Table VI-16. Listing for Data file “l4c4-LDTH60-1Dds_mc-ui-flux” Column 1 Column 2 A B C D E F G H I J K L M N (Time, yr) 1 5.0003803E+01 0.000E+00 0.000E+00 0.000E+00 0.000E+00 0.000E+00 0.000E+00 0.000E+00 0.000E+00 0.000E+00 0.000E+00 0.000E+00 0.000E+00 0.000E+00 0.000E+00 2 5.0003803E+01 3.161E-05 9.833E-06 3.062E-03 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -3.540E-06 -4.681E-05 -5.765E-05 6.710E-06 7.478E-06 3.398E-06 5.570E-06 3 5.0003803E+01 3.161E-05 1.209E-05 1.067E-03 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.496E-06 -7.728E-06 -8.768E-06 -5.404E-07 -1.848E-06 -2.358E-07 1.482E-06 4 5.0003803E+01 3.162E-05 1.291E-05 3.954E-04 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -9.664E-07 -4.337E-06 -4.881E-06 -3.857E-07 -1.807E-06 -3.170E-07 8.637E-07 5 5.0003803E+01 3.162E-05 1.245E-05 1.840E-04 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -6.273E-07 -2.374E-06 -2.590E-06 -1.120E-07 -3.373E-07 -4.412E-08 1.766E-07 6 5.0003803E+01 3.162E-05 1.103E-05 1.036E-04 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -3.379E-07 -1.454E-06 -1.645E-06 -8.227E-08 -4.459E-07 -1.028E-07 1.101E-07 7 5.0003803E+01 3.162E-05 9.115E-06 6.856E-05 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -2.463E-07 -1.116E-06 -1.296E-06 -6.869E-08 -4.648E-07 -1.294E-07 8.906E-08 8 5.0003803E+01 3.162E-05 7.248E-06 5.130E-05 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -2.070E-07 -9.110E-07 -1.089E-06 -6.416E-08 -4.492E-07 -1.464E-07 8.316E-08 9 5.0003803E+01 3.162E-05 5.692E-06 4.021E-05 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.789E-07 -7.094E-07 -8.980E-07 -7.691E-08 -4.182E-07 -1.576E-07 8.200E-08 10 5.0003803E+01 3.162E-05 4.802E-06 3.276E-05 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.628E-07 -5.359E-07 -7.452E-07 -9.581E-08 -3.593E-07 -1.461E-07 2.942E-08 11 5.0003803E+01 3.162E-05 4.451E-06 2.682E-05 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.549E-07 -3.940E-07 -6.396E-07 -1.260E-07 -3.529E-07 -1.494E-07 -8.589E-09 12 5.0003803E+01 3.162E-05 4.437E-06 2.202E-05 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.604E-07 -3.408E-07 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-3.329E-07 -6.791E-07 -3.289E-07 -1.726E-07 19 5.0035491E+01 3.171E-05 4.618E-06 7.207E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -5.180E-07 -3.079E-07 -7.815E-07 -3.389E-07 -7.874E-07 -3.399E-07 -2.780E-07 20 5.0035491E+01 3.175E-05 4.508E-06 6.508E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -5.747E-07 -3.478E-07 -8.666E-07 -3.835E-07 -9.533E-07 -3.843E-07 -3.087E-07 21 5.0067179E+01 3.178E-05 4.393E-06 6.020E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -6.264E-07 -3.629E-07 -9.512E-07 -4.435E-07 -1.173E-06 -4.442E-07 -3.360E-07 22 5.0067179E+01 3.180E-05 4.276E-06 5.653E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -6.270E-07 -3.509E-07 -1.033E-06 -5.144E-07 -1.449E-06 -5.165E-07 -3.489E-07 23 5.0067179E+01 3.183E-05 4.164E-06 5.399E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -6.210E-07 -3.334E-07 -1.148E-06 -5.941E-07 -1.787E-06 -5.993E-07 -3.735E-07 24 5.0098867E+01 3.185E-05 4.054E-06 5.256E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -5.860E-07 -3.399E-07 -1.308E-06 -4.703E-07 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-2.376E-06 37 5.0542500E+01 3.175E-05 3.690E-06 2.181E-05 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -2.396E-07 -4.116E-07 -1.857E-05 -7.852E-07 -1.630E-06 -7.862E-07 -2.323E-06 ANL-EBS-MD-000033 REV 00 ICN 1 VI-50 July 2000 Column 1 Column 2 A B C D E F G H I J K L M N (Time, yr) 38 5.0542500E+01 3.174E-05 3.751E-06 2.329E-05 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -2.330E-07 -4.194E-07 -1.996E-05 -7.667E-07 -1.591E-06 -7.674E-07 -2.279E-06 39 5.0574188E+01 3.174E-05 3.825E-06 2.433E-05 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -2.343E-07 -5.586E-07 -2.108E-05 -7.561E-07 -1.568E-06 -7.564E-07 -2.273E-06 40 5.0574188E+01 3.173E-05 3.935E-06 2.603E-05 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -2.212E-07 -7.092E-07 -2.283E-05 -7.453E-07 -1.549E-06 -7.458E-07 -2.288E-06 41 5.0605876E+01 3.173E-05 4.047E-06 2.737E-05 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -2.150E-07 -8.867E-07 -2.423E-05 -7.602E-07 -1.585E-06 -7.605E-07 -2.366E-06 42 5.0637564E+01 3.172E-05 4.202E-06 2.923E-05 0.000E+00 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-8.301E-08 -1.163E-07 -8.292E-08 -1.617E-07 186 8.7110553E+01 3.464E-05 5.031E-12 0.000E+00 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -2.674E-06 -1.990E-07 -2.016E-07 -8.205E-08 -1.140E-07 -8.199E-08 -1.595E-07 187 8.8821710E+01 3.471E-05 5.005E-12 0.000E+00 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -2.752E-06 -1.948E-07 -2.009E-07 -8.060E-08 -1.102E-07 -8.044E-08 -1.558E-07 188 9.1800390E+01 3.479E-05 5.030E-12 0.000E+00 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -2.829E-06 -1.765E-07 -1.781E-07 -7.628E-08 -1.002E-07 -7.629E-08 -1.457E-07 189 9.6236723E+01 3.487E-05 5.233E-12 0.000E+00 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -2.912E-06 -1.561E-07 -1.581E-07 -7.105E-08 -8.768E-08 -7.105E-08 -1.336E-07 190 1.0000761E+02 3.491E-05 5.493E-12 0.000E+00 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -2.956E-06 -1.382E-07 -1.404E-07 -6.632E-08 -7.661E-08 -6.633E-08 -1.231E-07 191 1.0577484E+02 3.505E-05 5.691E-12 0.000E+00 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -3.111E-06 -1.171E-07 -1.184E-07 -6.071E-08 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3.3747814E+02 3.382E-05 3.314E-07 6.499E-08 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.658E-06 1.814E-07 2.469E-07 5.994E-08 1.994E-07 5.995E-08 1.268E-07 217 3.4349887E+02 3.386E-05 5.207E-07 7.134E-08 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.685E-06 -6.101E-08 2.134E-07 6.101E-08 2.020E-07 6.148E-08 1.285E-07 218 3.4920273E+02 3.381E-05 6.146E-07 7.687E-08 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.633E-06 -1.024E-08 2.470E-07 6.343E-08 2.056E-07 6.344E-08 1.321E-07 219 3.5522346E+02 3.380E-05 5.555E-07 8.297E-08 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.624E-06 -2.213E-07 2.390E-07 6.431E-08 2.070E-07 6.431E-08 1.337E-07 220 3.6599741E+02 3.380E-05 7.201E-07 9.471E-08 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.616E-06 -3.863E-07 2.305E-07 6.545E-08 2.090E-07 6.555E-08 1.362E-07 221 3.8215834E+02 3.378E-05 9.783E-07 2.851E-07 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.591E-06 -6.342E-07 1.707E-07 6.888E-08 2.148E-07 6.889E-08 1.417E-07 222 3.9008036E+02 3.377E-05 1.133E-06 3.071E-07 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.578E-06 -7.501E-07 3.704E-08 7.069E-08 2.180E-07 7.069E-08 1.444E-07 223 3.9800238E+02 3.375E-05 1.331E-06 4.203E-07 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.564E-06 -9.787E-07 -7.169E-08 7.219E-08 2.206E-07 7.219E-08 1.466E-07 224 3.9990367E+02 3.376E-05 1.408E-06 4.567E-07 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.573E-06 -1.054E-06 -1.106E-07 7.213E-08 2.204E-07 7.220E-08 1.464E-07 225 4.1606459E+02 3.372E-05 1.775E-06 6.399E-07 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.536E-06 -1.415E-06 -2.840E-07 7.471E-08 2.247E-07 7.471E-08 1.502E-07 226 4.1859964E+02 3.372E-05 1.837E-06 6.712E-07 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.532E-06 -1.476E-06 -3.148E-07 7.498E-08 2.250E-07 7.498E-08 1.505E-07 227 4.2145157E+02 3.373E-05 1.916E-06 7.097E-07 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.545E-06 -1.554E-06 -3.609E-07 7.475E-08 2.245E-07 7.482E-08 1.500E-07 228 4.2715542E+02 3.370E-05 2.243E-06 4.948E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.518E-06 -1.600E-06 -4.434E-07 7.543E-08 2.254E-07 7.543E-08 1.513E-07 229 4.3476056E+02 3.369E-05 2.119E-06 9.383E-07 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.506E-06 -1.754E-06 -5.845E-07 7.539E-08 2.249E-07 7.545E-08 1.513E-07 230 4.4236571E+02 3.367E-05 2.307E-06 1.960E-05 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.491E-06 -1.940E-06 -7.827E-07 7.637E-08 2.263E-07 7.638E-08 1.523E-07 231 4.5630846E+02 3.364E-05 2.583E-06 1.533E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.465E-06 -2.215E-06 -1.169E-06 7.804E-08 2.292E-07 7.807E-08 1.542E-07 232 4.6011104E+02 3.365E-05 2.677E-06 1.666E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.481E-06 -2.314E-06 -1.305E-06 7.785E-08 2.292E-07 7.817E-08 1.539E-07 ANL-EBS-MD-000033 REV 00 ICN 1 VI-55 July 2000 Column 1 Column 2 A B C D E F G H I J K L M N (Time, yr) 233 4.6423049E+02 3.362E-05 2.725E-06 1.740E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.454E-06 -2.359E-06 -1.377E-06 7.848E-08 2.299E-07 7.859E-08 1.548E-07 234 4.6803306E+02 3.363E-05 2.806E-06 1.856E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.467E-06 -2.444E-06 -1.481E-06 7.814E-08 2.294E-07 7.845E-08 1.544E-07 235 4.7183563E+02 3.360E-05 2.813E-06 1.847E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.440E-06 -2.441E-06 -1.479E-06 7.817E-08 2.287E-07 7.816E-08 1.544E-07 236 4.7975765E+02 3.358E-05 3.166E-06 7.522E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.426E-06 -2.505E-06 -1.669E-06 7.732E-08 2.265E-07 7.732E-08 1.526E-07 237 4.8989784E+02 3.356E-05 3.211E-06 2.952E-05 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.407E-06 -2.662E-06 -1.911E-06 7.766E-08 2.269E-07 7.766E-08 1.520E-07 238 5.0003803E+02 3.353E-05 3.218E-06 2.510E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.387E-06 -2.853E-06 -2.150E-06 7.717E-08 2.254E-07 7.717E-08 1.500E-07 239 5.0510812E+02 3.352E-05 3.285E-06 2.563E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.378E-06 -2.920E-06 -2.204E-06 7.641E-08 2.238E-07 7.641E-08 1.486E-07 240 5.1049509E+02 3.352E-05 3.368E-06 2.613E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.390E-06 -3.008E-06 -2.285E-06 7.447E-08 2.205E-07 7.476E-08 1.452E-07 241 5.1588207E+02 3.349E-05 3.428E-06 2.693E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.359E-06 -3.070E-06 -2.339E-06 7.531E-08 2.215E-07 7.531E-08 1.456E-07 242 5.2126904E+02 3.347E-05 3.518E-06 2.770E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.350E-06 -3.142E-06 -2.416E-06 7.536E-08 2.216E-07 7.540E-08 1.448E-07 243 5.2697290E+02 3.346E-05 3.588E-06 2.850E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.343E-06 -3.232E-06 -2.499E-06 7.512E-08 2.210E-07 7.517E-08 1.436E-07 244 5.3267676E+02 3.344E-05 3.641E-06 3.173E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.329E-06 -3.281E-06 -2.612E-06 7.558E-08 2.217E-07 7.557E-08 1.434E-07 245 5.3869749E+02 3.342E-05 3.672E-06 3.075E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.318E-06 -3.308E-06 -2.719E-06 7.545E-08 2.212E-07 7.544E-08 1.423E-07 246 5.4440135E+02 3.341E-05 3.690E-06 3.159E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.307E-06 -3.323E-06 -2.802E-06 7.527E-08 2.205E-07 7.528E-08 1.415E-07 247 5.5485842E+02 3.338E-05 3.681E-06 3.182E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.286E-06 -3.310E-06 -2.822E-06 7.451E-08 2.188E-07 7.453E-08 1.404E-07 248 5.7101934E+02 3.333E-05 3.710E-06 3.272E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.258E-06 -3.338E-06 -2.907E-06 7.791E-08 2.257E-07 7.792E-08 1.452E-07 249 5.8718027E+02 3.328E-05 3.844E-06 3.353E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.228E-06 -3.433E-06 -2.980E-06 8.055E-08 2.311E-07 8.055E-08 1.491E-07 250 5.9636981E+02 3.329E-05 3.986E-06 3.404E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.243E-06 -3.564E-06 -3.036E-06 8.038E-08 2.313E-07 8.057E-08 1.490E-07 251 6.0524248E+02 3.580E-05 4.435E-06 3.716E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.197E-06 -3.965E-06 -3.177E-06 9.787E-08 2.695E-07 9.787E-08 1.791E-07 252 6.0619312E+02 3.604E-05 4.476E-06 3.705E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.198E-06 -4.004E-06 -3.241E-06 1.005E-07 2.749E-07 1.005E-07 1.830E-07 253 6.0682688E+02 3.632E-05 4.509E-06 3.763E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.198E-06 -4.019E-06 -3.277E-06 1.015E-07 2.772E-07 1.015E-07 1.849E-07 254 6.0841129E+02 3.703E-05 4.611E-06 3.928E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.197E-06 -4.108E-06 -3.436E-06 1.075E-07 2.895E-07 1.077E-07 1.940E-07 255 6.1189698E+02 3.895E-05 4.952E-06 5.676E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.192E-06 -4.362E-06 -3.812E-06 1.210E-07 3.169E-07 1.210E-07 2.161E-07 256 6.1316450E+02 3.977E-05 5.052E-06 4.454E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.191E-06 -4.459E-06 -3.884E-06 1.246E-07 3.242E-07 1.246E-07 2.227E-07 257 6.1443202E+02 4.066E-05 5.171E-06 4.515E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.189E-06 -4.547E-06 -3.921E-06 1.277E-07 3.313E-07 1.277E-07 2.293E-07 258 6.1728395E+02 4.261E-05 5.554E-06 4.766E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.188E-06 -4.883E-06 -4.118E-06 1.410E-07 3.605E-07 1.410E-07 2.529E-07 259 6.1886836E+02 4.382E-05 5.752E-06 5.770E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.189E-06 -5.050E-06 -4.366E-06 1.522E-07 3.834E-07 1.522E-07 2.710E-07 260 6.2045276E+02 4.504E-05 5.899E-06 5.231E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.188E-06 -5.162E-06 -4.516E-06 1.580E-07 3.949E-07 1.580E-07 2.812E-07 261 6.2203716E+02 4.627E-05 6.070E-06 8.933E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.188E-06 -5.312E-06 -4.789E-06 1.675E-07 4.138E-07 1.675E-07 2.976E-07 262 6.2362157E+02 4.748E-05 6.211E-06 5.803E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.186E-06 -5.415E-06 -5.015E-06 1.737E-07 4.259E-07 1.737E-07 3.093E-07 263 6.2679038E+02 4.969E-05 6.422E-06 6.000E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.184E-06 -5.579E-06 -5.204E-06 1.837E-07 4.441E-07 1.837E-07 3.298E-07 264 6.2932542E+02 5.124E-05 7.194E-06 6.201E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.183E-06 -6.017E-06 -5.391E-06 1.950E-07 4.665E-07 1.950E-07 3.510E-07 265 6.3154359E+02 5.265E-05 7.295E-06 6.374E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.181E-06 -6.417E-06 -5.548E-06 2.026E-07 4.810E-07 2.026E-07 3.673E-07 266 6.3439552E+02 5.416E-05 7.562E-06 6.544E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.176E-06 -6.670E-06 -5.648E-06 2.073E-07 4.898E-07 2.074E-07 3.770E-07 267 6.3661368E+02 5.518E-05 7.792E-06 6.833E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.172E-06 -6.875E-06 -5.932E-06 2.149E-07 5.055E-07 2.149E-07 3.905E-07 268 6.3883185E+02 5.608E-05 7.971E-06 8.246E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.168E-06 -7.038E-06 -6.233E-06 2.226E-07 5.213E-07 2.226E-07 4.032E-07 269 6.4326818E+02 5.748E-05 8.197E-06 1.405E-05 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.161E-06 -7.241E-06 -6.579E-06 2.344E-07 5.411E-07 2.344E-07 4.203E-07 270 6.4643699E+02 5.831E-05 8.292E-06 7.615E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.153E-06 -7.321E-06 -6.672E-06 2.374E-07 5.454E-07 2.374E-07 4.239E-07 271 6.4992268E+02 5.899E-05 8.379E-06 7.731E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.146E-06 -7.418E-06 -6.798E-06 2.424E-07 5.537E-07 2.424E-07 4.308E-07 ANL-EBS-MD-000033 REV 00 ICN 1 VI-56 July 2000 Column 1 Column 2 A B C D E F G H I J K L M N (Time, yr) 272 6.5626030E+02 5.991E-05 8.490E-06 7.901E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.130E-06 -7.527E-06 -6.963E-06 2.454E-07 5.561E-07 2.454E-07 4.345E-07 273 6.5721094E+02 6.004E-05 8.505E-06 7.928E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.130E-06 -7.545E-06 -6.989E-06 2.452E-07 5.555E-07 2.454E-07 4.347E-07 274 6.5816158E+02 6.017E-05 8.520E-06 7.954E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.127E-06 -7.563E-06 -7.016E-06 2.456E-07 5.555E-07 2.457E-07 4.354E-07 275 6.6037975E+02 6.041E-05 8.549E-06 8.003E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.124E-06 -7.596E-06 -7.065E-06 2.447E-07 5.520E-07 2.450E-07 4.349E-07 276 6.6101351E+02 6.048E-05 8.557E-06 8.017E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.116E-06 -7.594E-06 -7.069E-06 2.444E-07 5.507E-07 2.444E-07 4.347E-07 277 6.6164727E+02 6.055E-05 8.564E-06 8.024E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.116E-06 -7.601E-06 -7.077E-06 2.439E-07 5.489E-07 2.441E-07 4.338E-07 278 6.6354856E+02 6.069E-05 8.572E-06 8.030E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.113E-06 -7.614E-06 -7.092E-06 2.436E-07 5.461E-07 2.439E-07 4.329E-07 279 6.6513296E+02 6.081E-05 8.579E-06 8.041E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.109E-06 -7.630E-06 -7.110E-06 2.443E-07 5.452E-07 2.445E-07 4.332E-07 280 6.6640049E+02 6.092E-05 8.592E-06 8.059E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.106E-06 -7.653E-06 -7.134E-06 2.455E-07 5.459E-07 2.457E-07 4.341E-07 281 6.6988618E+02 6.110E-05 8.624E-06 8.106E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.094E-06 -7.698E-06 -7.191E-06 2.473E-07 5.473E-07 2.473E-07 4.352E-07 282 6.7337187E+02 6.126E-05 8.655E-06 8.150E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.093E-06 -7.746E-06 -7.247E-06 2.473E-07 5.466E-07 2.479E-07 4.341E-07 283 6.7685756E+02 6.137E-05 8.680E-06 8.184E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.076E-06 -7.765E-06 -7.276E-06 2.485E-07 5.467E-07 2.485E-07 4.333E-07 284 6.7970948E+02 6.146E-05 8.702E-06 8.213E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.074E-06 -7.796E-06 -7.312E-06 2.482E-07 5.461E-07 2.486E-07 4.309E-07 285 6.8256141E+02 6.152E-05 8.720E-06 8.237E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.067E-06 -7.812E-06 -7.334E-06 2.473E-07 5.444E-07 2.477E-07 4.277E-07 286 6.8858215E+02 6.160E-05 8.756E-06 8.285E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.045E-06 -7.841E-06 -7.377E-06 2.468E-07 5.428E-07 2.468E-07 4.217E-07 287 6.9998986E+02 6.169E-05 8.819E-06 8.374E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -1.014E-06 -7.901E-06 -7.462E-06 2.456E-07 5.413E-07 2.456E-07 4.150E-07 288 7.1203133E+02 6.175E-05 8.835E-06 8.415E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -9.847E-07 -7.924E-06 -7.503E-06 2.495E-07 5.389E-07 2.495E-07 4.138E-07 289 7.3516364E+02 6.178E-05 8.937E-06 8.550E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -9.329E-07 -8.032E-06 -7.647E-06 2.566E-07 5.406E-07 2.566E-07 4.192E-07 290 7.5322585E+02 6.179E-05 9.034E-06 8.676E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -8.943E-07 -8.127E-06 -7.770E-06 2.593E-07 5.419E-07 2.593E-07 4.220E-07 291 7.7097118E+02 6.179E-05 9.137E-06 8.804E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -8.592E-07 -8.235E-06 -7.904E-06 2.596E-07 5.368E-07 2.596E-07 4.204E-07 292 7.8174513E+02 6.179E-05 9.180E-06 8.845E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -8.394E-07 -8.261E-06 -7.931E-06 2.668E-07 5.439E-07 2.668E-07 4.201E-07 293 7.9251908E+02 6.179E-05 9.255E-06 8.923E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -8.200E-07 -8.319E-06 -7.990E-06 2.744E-07 5.578E-07 2.744E-07 4.248E-07 294 7.9727229E+02 6.179E-05 9.289E-06 8.958E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -8.177E-07 -8.354E-06 -8.024E-06 2.775E-07 5.648E-07 2.781E-07 4.274E-07 295 7.9980734E+02 6.178E-05 9.309E-06 8.976E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -8.074E-07 -8.356E-06 -8.024E-06 2.803E-07 5.708E-07 2.803E-07 4.263E-07 296 8.0234238E+02 6.179E-05 9.327E-06 8.995E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -8.059E-07 -8.373E-06 -8.041E-06 2.817E-07 5.744E-07 2.820E-07 4.263E-07 297 8.0360991E+02 6.178E-05 9.336E-06 9.005E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -8.021E-07 -8.374E-06 -8.044E-06 2.819E-07 5.749E-07 2.820E-07 4.255E-07 298 8.0519431E+02 6.178E-05 9.343E-06 9.013E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -7.997E-07 -8.379E-06 -8.051E-06 2.824E-07 5.762E-07 2.826E-07 4.252E-07 299 8.0804624E+02 6.178E-05 9.358E-06 9.033E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -7.966E-07 -8.393E-06 -8.068E-06 2.836E-07 5.794E-07 2.839E-07 4.247E-07 300 8.1279945E+02 6.178E-05 9.382E-06 9.064E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -7.853E-07 -8.406E-06 -8.089E-06 2.854E-07 5.829E-07 2.854E-07 4.236E-07 301 8.1533450E+02 6.178E-05 9.395E-06 9.081E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -7.814E-07 -8.415E-06 -8.102E-06 2.862E-07 5.846E-07 2.862E-07 4.233E-07 302 8.1755267E+02 6.178E-05 9.409E-06 9.109E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -7.801E-07 -8.430E-06 -8.120E-06 2.870E-07 5.870E-07 2.872E-07 4.232E-07 303 8.2262276E+02 6.178E-05 9.443E-06 9.146E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -7.746E-07 -8.453E-06 -8.153E-06 2.836E-07 5.899E-07 2.841E-07 4.206E-07 304 8.3339671E+02 6.177E-05 9.518E-06 9.245E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -7.517E-07 -8.518E-06 -8.246E-06 2.771E-07 5.777E-07 2.771E-07 4.137E-07 305 8.4385378E+02 6.176E-05 9.589E-06 9.338E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -7.358E-07 -8.580E-06 -8.329E-06 2.797E-07 5.887E-07 2.797E-07 4.048E-07 306 8.5399397E+02 6.176E-05 9.632E-06 9.421E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -7.200E-07 -8.618E-06 -8.408E-06 2.825E-07 5.934E-07 2.825E-07 4.015E-07 307 8.7364058E+02 6.175E-05 9.724E-06 9.675E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -6.913E-07 -8.654E-06 -8.513E-06 2.995E-07 6.236E-07 2.995E-07 3.894E-07 308 8.8821710E+02 6.174E-05 9.796E-06 9.689E-06 0.000E+00 0.000E+00 0.000E+00 0.000E+00 -6.709E-07 -8.645E-06 -8.541E-06 3.233E-07 6.848E-07 3.233E-07 3.908E-07 309 9.0279362E+02 6.172E-05 9.869E-06 9.811E-06 0.000E+00 2.165E-13 0.000E+00 0.000E+00 -6.512E-07 -8.634E-06 -8.576E-06 3.272E-07 7.618E-07 3.272E-07 3.931E-07 310 9.1039876E+02 6.172E-05 9.882E-06 9.871E-06 0.000E+00 2.676E-08 0.000E+00 0.000E+00 -6.421E-07 -8.631E-06 -8.621E-06 3.467E-07 7.618E-07 3.467E-07 3.946E-07 ANL-EBS-MD-000033 REV 00 ICN 1 VI-57 July 2000 Column 1 Column 2 A B C D E F G H I J K L M N (Time, yr) 311 9.1800390E+02 6.171E-05 9.899E-06 9.945E-06 0.000E+00 6.039E-08 0.000E+00 0.000E+00 -6.331E-07 -8.618E-06 -8.663E-06 3.597E-07 7.451E-07 3.597E-07 3.995E-07 312 9.3289731E+02 6.170E-05 9.969E-06 1.014E-05 4.265E-09 1.849E-07 0.000E+00 0.000E+00 -6.154E-07 -8.576E-06 -8.745E-06 3.868E-07 7.109E-07 3.911E-07 4.168E-07 313 9.4588942E+02 6.169E-05 1.003E-05 1.033E-05 1.940E-07 3.058E-07 0.000E+00 0.000E+00 -6.007E-07 -8.541E-06 -8.834E-06 2.260E-07 6.785E-07 4.200E-07 4.352E-07 314 9.5888154E+02 6.168E-05 1.009E-05 1.052E-05 5.866E-07 4.519E-07 0.000E+00 0.000E+00 -5.864E-07 -8.480E-06 -8.907E-06 -1.429E-07 6.398E-07 4.426E-07 4.565E-07 315 9.6775420E+02 6.168E-05 1.012E-05 1.064E-05 9.426E-07 7.236E-07 0.000E+00 0.000E+00 -5.764E-07 -8.414E-06 -8.930E-06 -5.285E-07 5.006E-07 4.073E-07 4.529E-07 316 9.7662687E+02 6.167E-05 1.016E-05 1.076E-05 1.573E-06 1.001E-06 0.000E+00 0.000E+00 -5.669E-07 -8.377E-06 -8.975E-06 -1.067E-06 3.591E-07 3.759E-07 4.541E-07 317 9.8898522E+02 6.166E-05 1.022E-05 1.091E-05 3.074E-06 1.000E-06 0.000E+00 0.000E+00 -5.556E-07 -8.332E-06 -9.031E-06 -2.628E-06 3.750E-07 4.467E-07 4.649E-07 318 1.0000761E+03 6.165E-05 1.026E-05 1.105E-05 4.773E-06 1.039E-06 0.000E+00 0.000E+00 -5.465E-07 -8.308E-06 -9.096E-06 -4.271E-06 3.487E-07 5.016E-07 4.993E-07 319 1.0054630E+03 6.165E-05 1.029E-05 1.111E-05 5.512E-06 1.084E-06 0.000E+00 0.000E+00 -5.424E-07 -8.298E-06 -9.127E-06 -4.996E-06 3.220E-07 5.163E-07 5.150E-07 320 1.0083150E+03 6.165E-05 1.030E-05 1.115E-05 5.858E-06 1.107E-06 0.000E+00 0.000E+00 -5.403E-07 -8.290E-06 -9.140E-06 -5.335E-06 3.092E-07 5.229E-07 5.244E-07 321 1.0111669E+03 6.165E-05 1.031E-05 1.118E-05 6.209E-06 1.131E-06 0.000E+00 0.000E+00 -5.397E-07 -8.285E-06 -9.155E-06 -5.672E-06 2.958E-07 5.290E-07 5.324E-07 322 1.0168707E+03 6.164E-05 1.032E-05 1.124E-05 6.868E-06 1.180E-06 0.000E+00 0.000E+00 -5.344E-07 -8.261E-06 -9.176E-06 -6.327E-06 2.699E-07 5.412E-07 5.569E-07 323 1.0260603E+03 6.164E-05 1.035E-05 1.134E-05 8.018E-06 1.223E-06 0.000E+00 0.000E+00 -5.283E-07 -8.232E-06 -9.219E-06 -7.442E-06 2.444E-07 5.756E-07 5.969E-07 324 1.0390524E+03 6.163E-05 1.038E-05 1.147E-05 9.821E-06 1.001E-06 0.000E+00 0.000E+00 -5.196E-07 -8.179E-06 -9.276E-06 -9.075E-06 3.597E-07 7.419E-07 6.346E-07 325 1.0507770E+03 6.163E-05 1.038E-05 1.159E-05 1.051E-05 1.203E-06 1.219E-09 0.000E+00 -5.113E-07 -8.078E-06 -9.288E-06 -9.883E-06 3.327E-07 6.458E-07 6.858E-07 326 1.0625016E+03 6.161E-05 1.025E-05 1.165E-05 1.005E-05 1.784E-06 3.178E-07 0.000E+00 -4.989E-07 -7.715E-06 -9.109E-06 -9.431E-06 5.101E-08 2.807E-07 7.948E-07 327 1.0682054E+03 6.161E-05 1.017E-05 1.166E-05 9.830E-06 2.040E-06 6.189E-07 0.000E+00 -4.927E-07 -7.510E-06 -9.005E-06 -9.153E-06 -1.236E-07 4.873E-08 8.534E-07 328 1.0735924E+03 6.160E-05 1.009E-05 1.170E-05 9.678E-06 2.243E-06 6.800E-07 0.000E+00 -4.869E-07 -7.316E-06 -8.922E-06 -9.007E-06 -1.962E-07 -1.894E-08 9.021E-07 329 1.0846832E+03 6.159E-05 9.864E-06 1.173E-05 9.349E-06 2.662E-06 8.451E-07 0.000E+00 -4.749E-07 -6.829E-06 -8.697E-06 -8.630E-06 -3.749E-07 -1.302E-07 1.248E-06 330 1.0932390E+03 6.158E-05 9.718E-06 1.178E-05 9.242E-06 2.864E-06 8.614E-07 4.478E-07 -4.670E-07 -6.534E-06 -8.597E-06 -8.529E-06 -4.097E-07 -1.539E-07 9.945E-07 331 1.0976754E+03 6.158E-05 9.642E-06 1.180E-05 9.191E-06 2.955E-06 8.514E-07 4.151E-07 -4.632E-07 -6.386E-06 -8.548E-06 -8.492E-06 -4.171E-07 -1.591E-07 9.528E-07 332 1.1021117E+03 6.157E-05 9.607E-06 1.183E-05 9.209E-06 2.900E-06 6.862E-07 -1.498E-09 -4.608E-07 -6.354E-06 -8.579E-06 -8.614E-06 -3.483E-07 -1.195E-07 1.162E-06 333 1.1052805E+03 6.157E-05 9.409E-06 1.178E-05 8.957E-06 3.214E-06 8.414E-07 9.153E-07 -4.563E-07 -6.023E-06 -8.395E-06 -8.306E-06 -4.857E-07 -2.003E-07 7.316E-07 334 1.1084493E+03 6.157E-05 9.300E-06 1.177E-05 8.866E-06 3.335E-06 8.973E-07 8.589E-07 -4.536E-07 -5.840E-06 -8.315E-06 -8.203E-06 -5.283E-07 -2.254E-07 6.002E-07 335 1.1094000E+03 6.156E-05 9.261E-06 1.177E-05 8.848E-06 3.358E-06 9.087E-07 1.242E-06 -4.516E-07 -5.780E-06 -8.286E-06 -8.167E-06 -5.413E-07 -2.331E-07 5.588E-07 336 1.1100337E+03 6.156E-05 9.233E-06 1.177E-05 8.834E-06 3.384E-06 9.210E-07 1.300E-06 -4.509E-07 -5.735E-06 -8.268E-06 -8.147E-06 -5.491E-07 -2.377E-07 5.351E-07 337 1.1119350E+03 6.156E-05 9.165E-06 1.176E-05 8.790E-06 3.439E-06 9.474E-07 1.400E-06 -4.491E-07 -5.626E-06 -8.220E-06 -8.091E-06 -5.701E-07 -2.501E-07 4.695E-07 338 1.1141532E+03 6.156E-05 9.089E-06 1.175E-05 8.745E-06 3.495E-06 9.744E-07 1.539E-06 -4.469E-07 -5.508E-06 -8.168E-06 -8.033E-06 -5.914E-07 -2.628E-07 4.017E-07 339 1.1163713E+03 6.156E-05 9.013E-06 1.174E-05 8.703E-06 3.548E-06 1.000E-06 1.738E-06 -4.447E-07 -5.390E-06 -8.117E-06 -7.976E-06 -6.117E-07 -2.748E-07 3.368E-07 340 1.1208077E+03 6.155E-05 8.846E-06 1.172E-05 8.607E-06 3.662E-06 1.057E-06 2.123E-06 -4.408E-07 -5.134E-06 -8.004E-06 -7.855E-06 -6.547E-07 -3.004E-07 1.985E-07 341 1.1246102E+03 6.155E-05 8.717E-06 1.169E-05 8.565E-06 3.705E-06 1.070E-06 2.300E-06 -4.359E-07 -4.950E-06 -7.926E-06 -7.800E-06 -6.652E-07 -3.068E-07 1.567E-07 342 1.1284128E+03 6.154E-05 8.604E-06 1.167E-05 8.522E-06 3.767E-06 1.095E-06 2.611E-06 -4.326E-07 -4.790E-06 -7.859E-06 -7.742E-06 -6.860E-07 -3.198E-07 8.784E-08 343 1.1322154E+03 6.154E-05 8.467E-06 1.164E-05 8.472E-06 3.816E-06 1.109E-06 2.576E-06 -4.292E-07 -4.598E-06 -7.773E-06 -7.682E-06 -6.966E-07 -3.263E-07 5.078E-08 344 1.1331660E+03 6.154E-05 8.424E-06 1.163E-05 8.432E-06 3.862E-06 1.133E-06 2.509E-06 -4.286E-07 -4.539E-06 -7.740E-06 -7.634E-06 -7.190E-07 -3.398E-07 -1.900E-08 345 1.1341167E+03 6.154E-05 8.376E-06 1.161E-05 8.400E-06 3.896E-06 1.151E-06 2.560E-06 -4.276E-07 -4.471E-06 -7.704E-06 -7.594E-06 -7.339E-07 -3.487E-07 -6.391E-08 346 1.1363348E+03 6.153E-05 8.282E-06 1.158E-05 8.343E-06 3.953E-06 1.181E-06 2.661E-06 -4.251E-07 -4.339E-06 -7.636E-06 -7.523E-06 -7.594E-07 -3.638E-07 -1.428E-07 347 1.1385530E+03 6.153E-05 8.182E-06 1.155E-05 8.282E-06 4.012E-06 1.213E-06 2.898E-06 -4.233E-07 -4.199E-06 -7.563E-06 -7.448E-06 -7.865E-07 -3.800E-07 -2.259E-07 348 1.1407712E+03 6.153E-05 8.099E-06 1.152E-05 8.253E-06 4.049E-06 1.231E-06 2.938E-06 -4.211E-07 -4.082E-06 -7.506E-06 -7.407E-06 -7.962E-07 -3.859E-07 -2.591E-07 349 1.1455244E+03 6.152E-05 7.938E-06 1.147E-05 8.192E-06 4.116E-06 1.266E-06 3.088E-06 -4.161E-07 -3.855E-06 -7.389E-06 -7.323E-06 -8.150E-07 -3.974E-07 -3.279E-07 ANL-EBS-MD-000033 REV 00 ICN 1 VI-58 July 2000 Column 1 Column 2 A B C D E F G H I J K L M N (Time, yr) 350 1.1540802E+03 6.151E-05 7.661E-06 1.137E-05 8.103E-06 4.212E-06 1.316E-06 3.372E-06 -4.092E-07 -3.474E-06 -7.183E-06 -7.197E-06 -8.343E-07 -4.099E-07 -4.109E-07 351 1.1588334E+03 6.151E-05 7.491E-06 1.128E-05 7.987E-06 4.289E-06 1.356E-06 4.647E-06 -4.042E-07 -3.251E-06 -7.042E-06 -7.066E-06 -8.799E-07 -4.377E-07 -5.583E-07 352 1.1632697E+03 6.150E-05 7.334E-06 1.120E-05 7.913E-06 4.347E-06 1.385E-06 4.427E-06 -3.998E-07 -3.043E-06 -6.906E-06 -6.974E-06 -8.980E-07 -4.490E-07 -6.252E-07 353 1.1730930E+03 6.150E-05 7.210E-06 1.119E-05 8.026E-06 4.333E-06 1.367E-06 3.700E-06 -3.935E-07 -2.840E-06 -6.822E-06 -7.064E-06 -8.179E-07 -4.039E-07 -4.456E-07 354 1.1730930E+03 6.150E-05 7.283E-06 1.134E-05 8.077E-06 4.299E-06 1.347E-06 3.546E-06 -3.985E-07 -3.021E-06 -7.108E-06 -7.272E-06 -1.085E-06 -5.925E-07 -1.676E-06 355 1.1730930E+03 6.150E-05 7.271E-06 1.131E-05 8.065E-06 4.301E-06 1.348E-06 3.591E-06 -3.945E-07 -2.918E-06 -6.947E-06 -7.144E-06 -9.458E-07 -4.908E-07 -9.752E-07 356 1.1730930E+03 6.150E-05 7.235E-06 1.123E-05 8.018E-06 4.302E-06 1.350E-06 3.570E-06 -3.887E-07 -2.848E-06 -6.830E-06 -7.000E-06 -8.631E-07 -4.308E-07 -6.260E-07 357 1.1730930E+03 6.149E-05 7.198E-06 1.115E-05 7.942E-06 4.304E-06 1.356E-06 3.527E-06 -3.830E-07 -2.807E-06 -6.750E-06 -6.878E-06 -8.076E-07 -3.994E-07 -4.868E-07 358 1.1730930E+03 6.149E-05 7.170E-06 1.109E-05 7.902E-06 4.300E-06 1.360E-06 3.520E-06 -3.765E-07 -2.781E-06 -6.700E-06 -6.874E-06 -7.910E-07 -3.904E-07 -4.532E-07 359 1.1730930E+03 6.149E-05 7.157E-06 1.109E-05 7.910E-06 4.299E-06 1.362E-06 3.557E-06 -3.748E-07 -2.772E-06 -6.707E-06 -6.927E-06 -8.094E-07 -4.011E-07 -4.840E-07 360 1.1730930E+03 6.148E-05 7.128E-06 1.108E-05 7.912E-06 4.305E-06 1.365E-06 3.621E-06 -3.705E-07 -2.737E-06 -6.688E-06 -6.938E-06 -8.097E-07 -4.017E-07 -4.922E-07 361 1.1734099E+03 6.149E-05 7.122E-06 1.109E-05 7.899E-06 4.330E-06 1.377E-06 3.713E-06 -3.790E-07 -2.729E-06 -6.697E-06 -6.929E-06 -8.381E-07 -4.174E-07 -5.468E-07 362 1.1734099E+03 6.149E-05 7.105E-06 1.108E-05 7.888E-06 4.350E-06 1.387E-06 3.766E-06 -3.796E-07 -2.708E-06 -6.683E-06 -6.915E-06 -8.452E-07 -4.214E-07 -5.644E-07 363 1.1737268E+03 6.149E-05 7.099E-06 1.107E-05 7.883E-06 4.361E-06 1.393E-06 3.786E-06 -3.800E-07 -2.699E-06 -6.672E-06 -6.905E-06 -8.438E-07 -4.208E-07 -5.652E-07 364 1.1737268E+03 6.149E-05 7.092E-06 1.107E-05 7.879E-06 4.369E-06 1.397E-06 3.808E-06 -3.795E-07 -2.691E-06 -6.667E-06 -6.900E-06 -8.459E-07 -4.220E-07 -5.710E-07 365 1.1737268E+03 6.149E-05 7.113E-06 1.109E-05 7.879E-06 4.374E-06 1.399E-06 3.812E-06 -3.911E-07 -2.716E-06 -6.696E-06 -6.908E-06 -8.685E-07 -4.341E-07 -6.036E-07 366 1.1737268E+03 6.148E-05 7.082E-06 1.105E-05 7.878E-06 4.371E-06 1.398E-06 3.811E-06 -3.679E-07 -2.683E-06 -6.651E-06 -6.894E-06 -8.386E-07 -4.184E-07 -5.664E-07 367 1.1737268E+03 6.149E-05 7.090E-06 1.106E-05 7.878E-06 4.371E-06 1.398E-06 3.814E-06 -3.780E-07 -2.687E-06 -6.658E-06 -6.895E-06 -8.419E-07 -4.198E-07 -5.620E-07 368 1.1737268E+03 6.149E-05 7.094E-06 1.107E-05 7.878E-06 4.372E-06 1.398E-06 3.816E-06 -3.786E-07 -2.688E-06 -6.661E-06 -6.895E-06 -8.422E-07 -4.198E-07 -5.589E-07 369 1.1737268E+03 6.149E-05 7.083E-06 1.105E-05 7.878E-06 4.372E-06 1.399E-06 3.819E-06 -3.630E-07 -2.663E-06 -6.623E-06 -6.873E-06 -7.945E-07 -3.925E-07 -4.561E-07 370 1.1737268E+03 6.149E-05 7.074E-06 1.103E-05 7.877E-06 4.372E-06 1.398E-06 3.818E-06 -3.557E-07 -2.655E-06 -6.610E-06 -6.866E-06 -7.817E-07 -3.855E-07 -4.399E-07 371 1.1737268E+03 6.149E-05 7.102E-06 1.108E-05 7.877E-06 4.372E-06 1.399E-06 3.816E-06 -3.876E-07 -2.704E-06 -6.687E-06 -6.910E-06 -8.744E-07 -4.379E-07 -6.190E-07 372 1.1737268E+03 6.149E-05 7.102E-06 1.108E-05 7.877E-06 4.372E-06 1.399E-06 3.816E-06 -3.868E-07 -2.705E-06 -6.689E-06 -6.909E-06 -8.726E-07 -4.370E-07 -6.199E-07 373 1.1737268E+03 6.149E-05 7.104E-06 1.109E-05 7.877E-06 4.373E-06 1.399E-06 3.817E-06 -3.890E-07 -2.708E-06 -6.693E-06 -6.911E-06 -8.769E-07 -4.394E-07 -6.279E-07 374 1.1737268E+03 6.149E-05 7.106E-06 1.109E-05 7.877E-06 4.373E-06 1.399E-06 3.818E-06 -3.891E-07 -2.710E-06 -6.696E-06 -6.911E-06 -8.772E-07 -4.394E-07 -6.260E-07 375 1.1737268E+03 6.149E-05 7.108E-06 1.109E-05 7.877E-06 4.375E-06 1.400E-06 3.820E-06 -3.893E-07 -2.712E-06 -6.699E-06 -6.911E-06 -8.769E-07 -4.391E-07 -6.229E-07 376 1.1737268E+03 6.149E-05 7.109E-06 1.109E-05 7.877E-06 4.377E-06 1.401E-06 3.824E-06 -3.903E-07 -2.713E-06 -6.699E-06 -6.908E-06 -8.759E-07 -4.384E-07 -6.190E-07 377 1.1737268E+03 6.149E-05 7.109E-06 1.109E-05 7.876E-06 4.382E-06 1.403E-06 3.833E-06 -3.914E-07 -2.712E-06 -6.697E-06 -6.905E-06 -8.754E-07 -4.380E-07 -6.176E-07 378 1.1737268E+03 6.149E-05 7.104E-06 1.109E-05 7.873E-06 4.389E-06 1.407E-06 3.852E-06 -3.916E-07 -2.706E-06 -6.690E-06 -6.899E-06 -8.760E-07 -4.384E-07 -6.204E-07 379 1.1740437E+03 6.149E-05 7.094E-06 1.108E-05 7.867E-06 4.400E-06 1.412E-06 3.885E-06 -3.915E-07 -2.693E-06 -6.680E-06 -6.891E-06 -8.786E-07 -4.399E-07 -6.283E-07 380 1.1743605E+03 6.149E-05 7.077E-06 1.107E-05 7.858E-06 4.414E-06 1.420E-06 3.925E-06 -3.910E-07 -2.670E-06 -6.664E-06 -6.879E-06 -8.827E-07 -4.424E-07 -6.397E-07 381 1.1756281E+03 6.149E-05 7.047E-06 1.105E-05 7.847E-06 4.428E-06 1.427E-06 3.965E-06 -3.901E-07 -2.633E-06 -6.637E-06 -6.864E-06 -8.868E-07 -4.448E-07 -6.518E-07 382 1.1778462E+03 6.149E-05 6.984E-06 1.101E-05 7.819E-06 4.447E-06 1.438E-06 4.036E-06 -3.882E-07 -2.554E-06 -6.577E-06 -6.829E-06 -8.934E-07 -4.490E-07 -6.764E-07 383 1.1829163E+03 6.148E-05 6.837E-06 1.089E-05 7.732E-06 4.497E-06 1.469E-06 4.274E-06 -3.840E-07 -2.364E-06 -6.422E-06 -6.725E-06 -9.145E-07 -4.621E-07 -7.550E-07 384 1.1940071E+03 6.147E-05 6.531E-06 1.064E-05 7.535E-06 4.604E-06 1.537E-06 4.957E-06 -3.749E-07 -1.967E-06 -6.074E-06 -6.494E-06 -9.596E-07 -4.903E-07 -9.301E-07 385 1.2022461E+03 6.146E-05 6.412E-06 1.050E-05 7.516E-06 4.595E-06 1.533E-06 4.823E-06 -3.671E-07 -1.824E-06 -5.916E-06 -6.460E-06 -9.349E-07 -4.774E-07 -8.998E-07 386 1.2108018E+03 6.146E-05 6.292E-06 1.038E-05 7.492E-06 4.593E-06 1.533E-06 5.203E-06 -3.614E-07 -1.673E-06 -5.758E-06 -6.425E-06 -9.125E-07 -4.657E-07 -8.720E-07 387 1.2288640E+03 6.144E-05 6.092E-06 1.009E-05 7.439E-06 4.575E-06 1.527E-06 4.808E-06 -3.497E-07 -1.421E-06 -5.420E-06 -6.352E-06 -8.635E-07 -4.402E-07 -8.088E-07 388 1.2675235E+03 6.141E-05 5.800E-06 9.462E-06 7.317E-06 4.510E-06 1.507E-06 5.093E-06 -3.259E-07 -1.052E-06 -4.713E-06 -6.195E-06 -7.599E-07 -3.852E-07 -6.639E-07 ANL-EBS-MD-000033 REV 00 ICN 1 VI-59 July 2000 Column 1 Column 2 A B C D E F G H I J K L M N (Time, yr) 389 1.3483281E+03 6.133E-05 5.455E-06 8.373E-06 7.009E-06 4.337E-06 1.455E-06 4.952E-06 -2.755E-07 -6.286E-07 -3.544E-06 -5.831E-06 -5.739E-07 -2.850E-07 -3.683E-07 390 1.5001141E+03 6.121E-05 5.193E-06 6.892E-06 6.210E-06 4.060E-06 1.397E-06 4.796E-06 -1.977E-07 -3.174E-07 -2.013E-06 -4.986E-06 -3.459E-07 -1.673E-07 -3.157E-08 391 1.6582376E+03 6.111E-05 5.092E-06 6.157E-06 5.721E-06 3.902E-06 1.373E-06 4.661E-06 -1.515E-07 -2.227E-07 -1.337E-06 -4.461E-06 -2.528E-07 -1.184E-07 9.259E-08 392 1.9446979E+03 6.099E-05 5.008E-06 5.495E-06 4.760E-06 3.734E-06 1.383E-06 4.702E-06 -1.109E-07 -1.366E-07 -7.114E-07 -3.529E-06 -1.479E-07 -7.596E-08 1.582E-07 393 2.0001521E+03 6.103E-05 5.034E-06 5.646E-06 4.575E-06 3.746E-06 1.410E-06 4.678E-06 -9.476E-08 -1.369E-07 -7.431E-07 -3.244E-06 -1.487E-07 -7.652E-08 1.175E-07 394 2.4422009E+03 1.028E-04 8.449E-06 8.725E-06 4.714E-06 5.971E-06 2.534E-06 8.706E-06 -6.243E-08 -7.987E-08 -3.613E-07 -2.250E-06 -8.140E-08 -4.800E-08 1.091E-07 395 2.4998732E+03 1.041E-04 8.556E-06 8.813E-06 4.681E-06 6.039E-06 2.577E-06 8.312E-06 -5.396E-08 -7.320E-08 -3.310E-07 -2.149E-06 -7.515E-08 -4.513E-08 1.070E-07 396 2.9999113E+03 1.047E-04 8.604E-06 8.750E-06 4.121E-06 6.004E-06 2.633E-06 8.399E-06 -3.444E-08 -4.735E-08 -1.921E-07 -1.517E-06 -4.373E-08 -2.970E-08 8.489E-08 397 3.5268842E+03 1.045E-04 8.591E-06 8.673E-06 3.813E-06 5.949E-06 2.663E-06 8.443E-06 -3.798E-08 -3.421E-08 -1.264E-07 -1.111E-06 -2.778E-08 -2.152E-08 6.862E-08 398 3.9990367E+03 1.047E-04 8.612E-06 8.671E-06 3.608E-06 5.949E-06 2.681E-06 8.392E-06 -1.636E-08 -2.524E-08 -9.466E-08 -9.042E-07 -2.106E-08 -1.625E-08 5.766E-08 399 4.6993434E+03 1.047E-04 8.616E-06 8.652E-06 3.372E-06 5.927E-06 2.701E-06 8.382E-06 -1.744E-08 -1.919E-08 -6.811E-08 -7.117E-07 -1.528E-08 -1.255E-08 4.500E-08 400 5.0003803E+03 1.049E-04 8.639E-06 8.684E-06 3.352E-06 5.930E-06 2.717E-06 8.376E-06 -7.421E-09 -1.629E-08 -6.031E-08 -6.341E-07 -1.137E-08 -1.045E-08 4.208E-08 401 5.9763734E+03 1.048E-04 8.632E-06 8.661E-06 3.245E-06 5.905E-06 2.731E-06 8.371E-06 -1.403E-08 -1.330E-08 -4.505E-08 -4.793E-07 -8.369E-09 -8.120E-09 3.195E-08 402 6.9998986E+03 1.049E-04 8.648E-06 8.671E-06 3.053E-06 5.902E-06 2.748E-06 8.332E-06 -9.320E-09 -1.009E-08 -3.387E-08 -3.864E-07 -6.402E-09 -6.208E-09 2.512E-08 403 8.3814992E+03 1.049E-04 8.655E-06 8.673E-06 2.987E-06 5.896E-06 2.761E-06 8.293E-06 -8.440E-09 -7.475E-09 -2.529E-08 -2.967E-07 -4.679E-09 -4.656E-09 1.971E-08 404 1.0000761E+04 1.050E-04 8.666E-06 8.676E-06 2.969E-06 5.895E-06 2.770E-06 8.261E-06 -4.907E-09 -5.425E-09 -1.899E-08 -2.216E-07 -3.078E-09 -3.379E-09 1.564E-08 405 1.2069993E+04 1.051E-04 8.687E-06 8.697E-06 2.943E-06 5.907E-06 2.782E-06 8.223E-06 -2.828E-09 -4.297E-09 -1.436E-08 -1.637E-07 -2.194E-09 -2.425E-09 1.213E-08 406 1.5327528E+04 1.049E-04 8.676E-06 8.679E-06 2.910E-06 5.890E-06 2.782E-06 8.175E-06 8.604E-10 -2.451E-09 -9.212E-09 -1.086E-07 -1.286E-09 -1.500E-09 8.291E-09 407 2.0058560E+04 1.049E-04 8.685E-06 8.686E-06 2.872E-06 5.893E-06 2.788E-06 8.120E-06 1.067E-09 -1.522E-09 -5.980E-09 -7.020E-08 -7.998E-10 -9.498E-10 5.391E-09 408 2.6995082E+04 1.050E-04 8.696E-06 8.697E-06 2.845E-06 5.899E-06 2.792E-06 8.069E-06 9.190E-10 -9.303E-10 -3.612E-09 -4.285E-08 -4.595E-10 -5.652E-10 3.299E-09 409 3.7423632E+04 1.050E-04 8.707E-06 8.707E-06 2.826E-06 5.907E-06 2.795E-06 8.025E-06 9.787E-10 -3.114E-10 -1.957E-09 -2.395E-08 -2.918E-10 -3.473E-10 1.797E-09 410 5.3584556E+04 1.050E-04 8.720E-06 8.719E-06 2.815E-06 5.919E-06 2.798E-06 7.991E-06 8.979E-10 -8.896E-11 -1.039E-09 -1.385E-08 -2.001E-10 -1.991E-10 1.020E-09 411 8.0265926E+04 1.051E-04 8.729E-06 8.729E-06 2.809E-06 5.928E-06 2.800E-06 7.951E-06 6.684E-10 1.541E-11 -4.675E-10 -7.073E-09 -1.175E-10 -1.030E-10 5.032E-10 412 1.2738611E+05 1.051E-04 8.737E-06 8.737E-06 2.807E-06 5.936E-06 2.802E-06 7.936E-06 4.201E-10 3.191E-11 -2.296E-10 -3.949E-09 -7.705E-11 -5.968E-11 2.651E-10 413 2.2029559E+05 1.051E-04 8.740E-06 8.740E-06 2.806E-06 5.939E-06 2.803E-06 7.930E-06 4.752E-11 -4.335E-11 -2.293E-10 -2.968E-09 -6.151E-11 -4.388E-11 1.877E-10 414 4.1796588E+05 1.052E-04 8.741E-06 8.741E-06 2.806E-06 5.939E-06 2.803E-06 7.927E-06 -5.119E-11 -6.171E-11 -2.245E-10 -2.655E-09 -5.721E-11 -3.908E-11 1.629E-10 415 8.5336020E+05 1.052E-04 8.741E-06 8.741E-06 2.805E-06 5.940E-06 2.803E-06 7.924E-06 -6.994E-12 -3.360E-11 -1.574E-10 -2.056E-09 -5.089E-11 -3.060E-11 1.176E-10 416 1.0000761E+06 1.052E-04 8.742E-06 8.742E-06 2.805E-06 5.940E-06 2.803E-06 7.922E-06 -6.268E-11 -4.417E-11 -1.549E-10 -1.879E-09 -4.850E-11 -2.793E-11 1.034E-10 ANL-EBS-MD-000033 REV 00 ICN 1 VII-1 July 2000 ATTACHMENT VII SOFTWARE ROUTINE DOCUMENTATION FOR NUFT POST PROCESSOR: ZONEAVG V1.2 ROUTINE PURPOSE AND DESCRIPTION This attachment describes the initial issue of routine: ZONEAVG V1.2. This routine processes NUFT output files (“*.ext”) to produce zone-averaged output of scalar variables at each time step. The routine is written in the “perl” scripting language for Unix, and is compatible with any 5.x version of the perl compiler. The program listing of the ZONEAVG V1.2 is provided in Table VII-1. The routine was run on a Sun Ultra 2 workstation with SunOS 5.5.1 operating system. As discussed in Section 6.1 of this report, the thermal-hydrology NUFT model was divided into six sub-domains (Zone 1 to Zone 6), plus one additional boundary zone (Zone 0). This software routine reads the NUFT output file and produces another output file, which contains a table of zone-averaged values for each zone, for each scalar variable output by NUFT, and for each time step for which NUFT output was requested. Importantly, it is necessary that the NUFT input file is structured using specialized grid block names which identify the grid blocks within each zone. The identifying syntax within each grid block name is the letter “A” followed by a single digit designating the zone number. VALIDATION TEST CASE Description and validation of routine ZONEAVG V1.2 is facilitated using a test case. This case consists of one NUFT output file (“l4c4-LDTH60-1Dds_mc-ui-01.f.ext”). This file is an important intermediate product in development of the Engineered Barrier System (EBS) Physical and Chemical Environment Analysis/Model Report. The file is too large to list in this Attachment, however, selected portions are shown in Table VII-2. For purposes of hand calculation and validation, the NUFT output file was imported to an Excel 97 spreadsheet (“AttachmentVIIRev00BCompleteTable2.xls”) so that line numbers could be added. The following discussion refers to line numbers within Table VII-2, which match the line numbers shown in the spreadsheet file. The NUFT file (“l4c4-LDTH60-1Dds_mc-ui-01.f.ext”) and the Excel spreadsheet version with line numbers (“AttachmentVIIRev00BCompleteTable2.xls”) are available in electronic form (DTN MO9911EBSM0001.000; electronic submittal described in Attachment XIX.) Zone-averaged scalar variables (e.g. as shown in Lines 125 to 129 of Table VII-2: temperature, liquid saturation, air mass-fraction, evaporation rate per unit volume, evaporation rate per grid block) describe the state of each zone as a function of time. Within each zone, for each time step, the value for each grid block is weighted by its volume according to: å å = blocks grid i blocks grid i i v x v x (VII-1) where x = zone average of scalar field for one zone vi = volume of the ith grid block in that zone (m3/m) ANL-EBS-MD-000033 REV 00 ICN 1 VII-2 July 2000 xi = scalar field value for the ith grid block For the test case, the ZONEAVG output file (“l4c4-LDTH60-1Dds_mc-ui-01.f.ext.zavg”) is listed in Table VII-3. Validation of the ZONEAVG routine was completed by manually checking the input and output files. The following documentation illustrates the correct relationship of the input and output files. As noted above, in the following discussion the information within the NUFT output file ( “l4c4-LDTH60-1Dds_mc-ui-01.f.ext”) is referenced by line number. It is shown from the input file “l4c4-LDTH60-1Dds_mc-ui-01.f.ext” that the 2-D model plane (with thickness y = 1 m) is defined by a 15 x 85 mesh. There are 15 grid blocks in the horizontal (x) direction and 85 grid blocks in the vertical (z) direction. The widths of 15 grid blocks in the x-direction are given in Rows 15 through 29 of Table VII-2, while the heights of 85 grid blocks in the z-direction are given in Rows 33 through 117 of Table VII-2. The ZONEAVG routine first calculates the volume for all grid blocks within each zone using the process shown in Table VII-4. The process is repeated for each grid block. The volumes of the calculated by ZONEAVG for the test case are listed in the output file (Table VII-3) in Rows 7 through 429. The volume data are used in subsequent calculations for zone-average scalar variables. In the NUFT output file, the names of the 1,275 grid block names are listed in a format of eighty-five 15-element horizontal strips from the top to the bottom in Rows 133 through 1,407 of Table VII-2. In the NUFT output file, all the grid block names are then listed again in the format of a vertical strip (Rows 1,409 through 3858 in file: “Attachment VII Table 2.xls”). In the test case, there are 17 time-steps from 50 years (1.57788e+09 sec) to 1,000,000 years (3.15576e+13 sec). Within each time-step, the list of data are in the same sequence defined in Rows 125 to 129 (Table VII-2): • “T” (1275 values) • “S.liquid” (1275 values) • “X.air.gas” (1275 values) • “qPhChg.water.gas” (1275 values) • “QphChg.water.gas” (1275 values) • “q.gas” (2450 values) The hand calculation illustrates the correct function of ZONEAVG V1.2 for the zone-average temperature (variable “T” above) for Zone A0 and Zone A6 at the 50-yr time step (1.577880e+09 sec). The data block for temperature at this time step is shown in Table VII-2, Rows 3892 to 5166. The results of the hand calculation for Zone 0 are in Table VII-5, and the results for Zone 6 are in Table VII-6. Similar hand calculations were performed for the other zones and time-steps. Representative data values in the output files were manually checked and compared against the input data. It was found that all the selected output data were in agreement with the input data. Therefore, ANL-EBS-MD-000033 REV 00 ICN 1 VII-3 July 2000 the software routine ZONEAVG V1.2 is valid for its intended use within the validation range of 50 to 1,000,000 years. This routine is valid for parsing the “*.ext” output file from NUFT V3.0s, for any simulation problem that includes zoning of grid blocks, defined in the NUFT input file. This routine provides correct results for the range of parameters obtained from NUFT outputs. ANL-EBS-MD-000033 REV 00 ICN 1 VII-4 July 2000 Table VII-1 Program Listing for Software Routine ZONEAVG V1.2 #!/usr/local/bin/perl -s $_version = "zoneavg.sh 1.2 10/15/99 12:06:51 LLNL"; print "$_version\n"; # loop all files for individual extraction/reduction of information foreach $file (@ARGV) { print "Parsing file $file...\n"; $pardata=&getPVals($file,$x,$y); foreach $param (keys(%{$pardata})) { next if $param eq 'zones'; print "\nVariable: $param\n"; &writeHeader(STDOUT,@{$pardata->{'zones'}}); $vdat=$pardata->{$param}; foreach $i (0..$#{$vdat}) { &writeData(STDOUT,$i,$vdat->[$i],@{$pardata->{'zones'}}); } } } # # write single ouput data line sub writeData { my($fl,$tidx,$data,@zone)=@_; my($i); printf $fl "%d\t%e",$tidx,$data->{'time'}; foreach $i (0..$#zone) { printf $fl "\t% 12e",$data->{$zone[$i]}; } printf $fl "\n"; } # # header information output for each output table sub writeHeader { my($fl,@z)=@_; my($num); printf $fl "\t Zone"; foreach $i (0..$#z) { printf $fl "\t%12s",$z[$i]; } printf $fl "\n Time\n"; } # # full read and parameter calculation for one file sub getPVals { my($fl)=@_[0]; my(%idx,%blkvol,$par,$info,@zones,$zone,$var,$data,$pdata); open(RES,"<$fl")||die "Unable to open $fl: $!\n"; $info=&getFileInfo(RES); @zones=&getZones(@{$info->{'sblk'}}); foreach $zone (@zones) { ANL-EBS-MD-000033 REV 00 ICN 1 VII-5 July 2000 $idx{$zone}=&getIndices("_".$zone."[\.\#]",@{$info->{'sblk'}}); $blkvol{$zone}=&getVolumes($info->{'sblk'},$info->{'grid'},$idx{$zone}); } $par->{'zones'}=[]; @{$par->{'zones'}}=@zones; foreach $var (@{$info->{'svar'}}) { $par->{$var}=[]; } while ($data=&getData(RES)) { next if $data->{'var'}>$#{$info->{'svar'}}; $var=$info->{'svar'}->[$data->{'var'}]; $pdata={}; $pdata->{'time'}=$data->{'time'}; print "Time: $pdata->{'time'}\n"; foreach $zone (@zones) { print " Zone: $zone\n"; $pdata->{$zone}=getAvg($data->{'data'},$idx{$zone},$blkvol{$zone}); } push @{$par->{$var}}, $pdata; } close(RES); return $par; } # # extract list of zone names from array # zone names are expected to match '_.' or '_#' sub getZones { my(@blk)=@_; my($i,@zon); foreach $i (0..$#blk) { if ($blk[$i]=~/^[^\#]*_([^\.\#]*)/) { $zon{$1}=1; } } return keys(%zon); } # # weighted average over given array of data and weights sub getAvg { my($data,$idx,$w)=@_; my($wtot,$sum,$i); $wtot=0.0; foreach $i (0..$#{$idx}) { $wtot+=$w->[$i]; $sum+=$data->[$idx->[$i]]*$w->[$i]; } return $sum/$wtot; } # # Pack all ext header info into one structure sub getFileInfo { my($in)=@_[0]; my($info,$grd); $grd=&readGrid($in); ANL-EBS-MD-000033 REV 00 ICN 1 VII-6 July 2000 die "Could not find grid\n" unless $grd; $info=&readDesc($in); die "Unable to parse block descriptions\n" unless $info; $info->{'grid'}=$grd; return $info; } # # Read a single timestep, single variable data block sub getData { my($in)=@_[0]; my($out,$vidx,$data,$time); return if eof $in; $out={}; $time=<$in>+0.0; $vidx=<$in>-1; $name=$nlst->[$vidx]; $data=&readDataBlk($in,<$in>+0); $out->{'data'}=$data; $out->{'var'}=$vidx; $out->{'time'}=$time; return $out; } # # calculate volumes for array of block indices sub getVolumes { my($blk,$grd,$idx)=@_; my($vols,@x,@y,@z,$i,@bijk); @x=@{$grd->{'x'}}; @y=@{$grd->{'y'}}; @z=@{$grd->{'z'}}; $vols=[]; foreach $i (0..$#{$idx}) { @bijk=split(/:/,(split('#',$blk->[$idx->[$i]]))[1]); $vols->[$i]=$x[$bijk[0]-1]*$y[$bijk[1]-1]*$z[$bijk[2]-1]; print "$blk->[$idx->[$i]] Volume: $vols->[$i]\n"; } return $vols; } # # Extract a list of indices into the date blocks for # block names matching a given (RE) pattern sub getIndices { my($pat,@sb)=@_; my($i,$idx); $idx=[]; foreach $i (0..$#sb) { if ($sb[$i] =~ /$pat/) { push(@{$idx},$i); } } return $idx; } # ANL-EBS-MD-000033 REV 00 ICN 1 VII-7 July 2000 # Read the variable and block descriptions from the file # Information stored in hash table: # $out->{'svar'}==ordered array of scalar variable names # $out->{'vvar'}==ordered array of connection variable names # $out->{'sblk'}==ordered array of block names for scalar (element) variables # $out->{'vblk'}==ordered array of block connections for vector (connection) varibles # $out->{'vnames'}==ordered array of all varible names sub readDesc { my($in)=@_[0]; my($out,$line,$num); $out={}; do { $line=<$in>; } while $line=~/^\$/; $out->{'svar'}=&readDataBlk($in,$line+0); $out->{'vvar'}=&readDataBlk($in,<$in>+0); $out->{'sblk'}=&readDataBlk($in,<$in>+0); $out->{'vblk'}=&readDataBlk($in,<$in>+0); $out->{'vnames'}=[]; @{$out->{'vnames'}}=@{$out->{'svar'}}; push(@{$out->{'vnames'}},@{$out->{'vvar'}}); $num=0; $num+=scalar(@{$out->{'svar'}}) if defined(@{$out->{'svar'}}); $num+=scalar(@{$out->{'vvar'}}) if defined(@{$out->{'vvar'}}); print "num variables $num\n"; die "No variables found in file\n" unless $num; foreach $i (1..5*$num) { $line=<$in>; } return $out; } # # Read one block from extfile of $num lines # return reference to array of lines sub readDataBlk { my($in,$num)=@_; my($out,$i,$line); $out=[] if $num; foreach $i (1..$num) { $line=<$in>; chomp $line; push(@{$out}, $line); } return $out; } # # Read the grid definition from the file into data area # for rectangular ext file grid will result in # $grd->{'type'}=='rect' # $grd->{'nx'}=value from $nx line # similar from 'ny','nz' # $grd->{'x'}=array of values from $dx block # similar for 'y','z' # return reference to structure # sub readGrid ANL-EBS-MD-000033 REV 00 ICN 1 VII-8 July 2000 { my($in)=@_[0]; my($line,$grd,$gptr,@tok); $line=<$in> until $line=~s/^\$//; chomp($line); $grd={}; $grd->{'type'}=$line; $gptr=$grd; while ($line=<$in>) { chomp($line); $line=~/^\$continuum/ && do { @tok=split(/ /,$line); $grd->{$tok[1]}={}; $gptr=$grd->{$tok[1]}; next; }; $line=~s/^\$n// && do { @tok=split(/ /,$line); $gptr->{"n$tok[0]"}=0+$tok[1]; next; }; $line=~s/^\$d// && do { $gptr->{$line}=&readDataBlk($in,$gptr->{"n$line"}); next; }; $line=~/^\$end/ && last; } return $grd; } ANL-EBS-MD-000033 REV 00 ICN 1 VII-9 July 2000 Table VII-2 Selected Lines from ZONEAVG V1.2 Input File (NUFT Output File: “l4c4- LDTH60-1Dds_mc-ui-01.f.ext”) Used for Validation Line # Value or Contents from NUFT Output File 1 1 2 *l4c4-LDTH60-1Dds_mc-ui-01* 1.0130000e+01mm_yr,lineload, AML=60mtu_acre,LDTH601D 3 10 4 internal 5 NUFT version 3.0s (SUN/SOLARIS) 6 0 7 VARIABLE 8 $gdef 9 $type rect 10 $nx 15 11 $ny 1 12 $nz 85 13 $order yxz 14 $dx 15 0.57 16 0.35 17 0.331 18 3.60E-01 19 0.3797 20 0.42 21 3.39E-01 22 5.00E-01 23 9.00E-01 24 1.50E+00 25 2.50E+00 26 4.00E+00 27 6.00E+00 28 9.00E+00 29 1.34E+01 30 $dy 31 1.00E+00 32 $dz 33 1.00E-30 34 1.65E+01 35 1.65E+01 36 2.90E+01 37 3.00E+01 38 3.00E+01 39 4.95E+00 40 5.95E+00 41 2.49E+00 42 2.37E+00 43 6.53E+00 44 1.44E+01 45 1.55E+01 46 1.99E+00 47 2.10E+01 48 2.10E+01 49 2.87E+01 50 3.00E+01 51 3.00E+01 52 1.03E+01 53 2.00E+01 54 9.67E+00 55 9.67E+00 ANL-EBS-MD-000033 REV 00 ICN 1 VII-10 July 2000 Line # Value or Contents from NUFT Output File 56 1.00E+01 57 6.00E+00 58 4.00E+00 59 3.00E+00 60 3.00E+00 61 2.40E+00 62 2.00E+00 63 1.00E+00 64 1.00E+00 65 5.00E-01 66 3.00E-01 67 2.00E-01 68 2.00E-01 69 2.00E-01 70 2.00E-01 71 2.00E-01 72 2.00E-01 73 2.00E-01 74 2.00E-01 75 2.74E-01 76 2.00E-01 77 2.00E-01 78 2.54E-01 79 2.37E-01 80 3.82E-01 81 6.47E-01 82 7.86E-01 83 5.14E-01 84 3.03E-01 85 3.03E-01 86 8.00E-01 87 1.00E+00 88 1.50E+00 89 2.00E+00 90 2.00E+00 91 2.50E+00 92 3.00E+00 93 4.00E+00 94 6.00E+00 95 1.00E+01 96 1.50E+01 97 5.86E+00 98 2.00E+01 99 7.12E+00 100 1.36E+01 101 2.34E+01 102 3.78E+00 103 1.02E+01 104 1.44E+01 105 1.44E+01 106 1.44E+01 107 1.44E+01 108 1.96E+01 109 8.09E+00 110 3.00E+01 111 3.69E+00 112 1.47E+01 ANL-EBS-MD-000033 REV 00 ICN 1 VII-11 July 2000 Line # Value or Contents from NUFT Output File 113 3.00E+01 114 3.00E+01 115 1.06E+00 116 1.74E+01 117 1.00E-30 118 $end_internal_grid 119 $OperatingSystem SunOS s139.es.llnl.gov 5.5.1 Generic_103640-24 sun4u sparc SUNW,Ultra-2 120 $C-Compiler CC: WorkShop Compilers 4.2 18 Sep 1997 C++ 4.2 patch 104631-04 121 $FortranCompiler f77: WorkShop Compilers 4.2 04 Mar 1997 FORTRAN 77 4.2 patch 104529-01 122 $RunID 123 $RunDate Wed Nov 3 23:00:11 1999 124 5.00E+00 125 T 126 S.liquid 127 X.air.gas 128 qPhChg.water.gas 129 QPhChg.water.gas 130 1.00E+00 131 q.gas 132 1275 133 atm.f#1:1:1 134 atm.f#2:1:1 135 atm.f#3:1:1 136 atm.f#4:1:1 137 atm.f#5:1:1 138 atm.f#6:1:1 139 atm.f#7:1:1 140 atm.f#8:1:1 141 atm.f#9:1:1 142 atm.f#10:1:1 143 atm.f#11:1:1 144 atm.f#12:1:1 145 atm.f#13:1:1 146 atm.f#14:1:1 147 atm.f#15:1:1 148 tcw11.f#1:1:2 149 tcw11.f#2:1:2 150 tcw11.f#3:1:2 151 tcw11.f#4:1:2 152 tcw11.f#5:1:2 153 tcw11.f#6:1:2 154 tcw11.f#7:1:2 155 tcw11.f#8:1:2 156 tcw11.f#9:1:2 157 tcw11.f#10:1:2 158 tcw11.f#11:1:2 159 tcw11.f#12:1:2 160 tcw11.f#13:1:2 161 tcw11.f#14:1:2 162 tcw11.f#15:1:2 163 tcw11.f#1:1:3 164 tcw11.f#2:1:3 165 tcw11.f#3:1:3 166 tcw11.f#4:1:3 167 tcw11.f#5:1:3 168 tcw11.f#6:1:3 169 tcw11.f#7:1:3 ANL-EBS-MD-000033 REV 00 ICN 1 VII-12 July 2000 Line # Value or Contents from NUFT Output File 170 tcw11.f#8:1:3 171 tcw11.f#9:1:3 172 tcw11.f#10:1:3 173 tcw11.f#11:1:3 174 tcw11.f#12:1:3 175 tcw11.f#13:1:3 176 tcw11.f#14:1:3 177 tcw11.f#15:1:3 178 tcw12.f#1:1:4 179 tcw12.f#2:1:4 180 tcw12.f#3:1:4 181 tcw12.f#4:1:4 182 tcw12.f#5:1:4 183 tcw12.f#6:1:4 184 tcw12.f#7:1:4 185 tcw12.f#8:1:4 186 tcw12.f#9:1:4 187 tcw12.f#10:1:4 188 tcw12.f#11:1:4 189 tcw12.f#12:1:4 190 tcw12.f#13:1:4 191 tcw12.f#14:1:4 192 tcw12.f#15:1:4 193 tcw12.f#1:1:5 194 tcw12.f#2:1:5 195 tcw12.f#3:1:5 196 tcw12.f#4:1:5 197 tcw12.f#5:1:5 198 tcw12.f#6:1:5 199 tcw12.f#7:1:5 200 tcw12.f#8:1:5 201 tcw12.f#9:1:5 202 tcw12.f#10:1:5 203 tcw12.f#11:1:5 204 tcw12.f#12:1:5 205 tcw12.f#13:1:5 206 tcw12.f#14:1:5 207 tcw12.f#15:1:5 208 tcw12.f#1:1:6 209 tcw12.f#2:1:6 210 tcw12.f#3:1:6 211 tcw12.f#4:1:6 212 tcw12.f#5:1:6 213 tcw12.f#6:1:6 214 tcw12.f#7:1:6 215 tcw12.f#8:1:6 216 tcw12.f#9:1:6 217 tcw12.f#10:1:6 218 tcw12.f#11:1:6 219 tcw12.f#12:1:6 220 tcw12.f#13:1:6 221 tcw12.f#14:1:6 222 tcw12.f#15:1:6 223 tcw13.f#1:1:7 224 tcw13.f#2:1:7 225 tcw13.f#3:1:7 226 tcw13.f#4:1:7 ANL-EBS-MD-000033 REV 00 ICN 1 VII-13 July 2000 Line # Value or Contents from NUFT Output File 227 tcw13.f#5:1:7 228 tcw13.f#6:1:7 229 tcw13.f#7:1:7 230 tcw13.f#8:1:7 231 tcw13.f#9:1:7 232 tcw13.f#10:1:7 233 tcw13.f#11:1:7 234 tcw13.f#12:1:7 235 tcw13.f#13:1:7 236 tcw13.f#14:1:7 237 tcw13.f#15:1:7 238 ptn21.f#1:1:8 239 ptn21.f#2:1:8 240 ptn21.f#3:1:8 241 ptn21.f#4:1:8 242 ptn21.f#5:1:8 243 ptn21.f#6:1:8 244 ptn21.f#7:1:8 245 ptn21.f#8:1:8 246 ptn21.f#9:1:8 247 ptn21.f#10:1:8 248 ptn21.f#11:1:8 249 ptn21.f#12:1:8 250 ptn21.f#13:1:8 251 ptn21.f#14:1:8 252 ptn21.f#15:1:8 253 ptn22.f#1:1:9 254 ptn22.f#2:1:9 255 ptn22.f#3:1:9 256 ptn22.f#4:1:9 257 ptn22.f#5:1:9 258 ptn22.f#6:1:9 259 ptn22.f#7:1:9 260 ptn22.f#8:1:9 261 ptn22.f#9:1:9 262 ptn22.f#10:1:9 263 ptn22.f#11:1:9 264 ptn22.f#12:1:9 265 ptn22.f#13:1:9 266 ptn22.f#14:1:9 267 ptn22.f#15:1:9 268 ptn23.f#1:1:10 269 ptn23.f#2:1:10 270 ptn23.f#3:1:10 271 ptn23.f#4:1:10 272 ptn23.f#5:1:10 273 ptn23.f#6:1:10 274 ptn23.f#7:1:10 275 ptn23.f#8:1:10 276 ptn23.f#9:1:10 277 ptn23.f#10:1:10 278 ptn23.f#11:1:10 279 ptn23.f#12:1:10 280 ptn23.f#13:1:10 281 ptn23.f#14:1:10 282 ptn23.f#15:1:10 283 ptn24.f#1:1:11 ANL-EBS-MD-000033 REV 00 ICN 1 VII-14 July 2000 Line # Value or Contents from NUFT Output File 284 ptn24.f#2:1:11 285 ptn24.f#3:1:11 286 ptn24.f#4:1:11 287 ptn24.f#5:1:11 288 ptn24.f#6:1:11 289 ptn24.f#7:1:11 290 ptn24.f#8:1:11 291 ptn24.f#9:1:11 292 ptn24.f#10:1:11 293 ptn24.f#11:1:11 294 ptn24.f#12:1:11 295 ptn24.f#13:1:11 296 ptn24.f#14:1:11 297 ptn24.f#15:1:11 298 ptn25.f#1:1:12 299 ptn25.f#2:1:12 300 ptn25.f#3:1:12 301 ptn25.f#4:1:12 302 ptn25.f#5:1:12 303 ptn25.f#6:1:12 304 ptn25.f#7:1:12 305 ptn25.f#8:1:12 306 ptn25.f#9:1:12 307 ptn25.f#10:1:12 308 ptn25.f#11:1:12 309 ptn25.f#12:1:12 310 ptn25.f#13:1:12 311 ptn25.f#14:1:12 312 ptn25.f#15:1:12 313 ptn26.f#1:1:13 314 ptn26.f#2:1:13 315 ptn26.f#3:1:13 316 ptn26.f#4:1:13 317 ptn26.f#5:1:13 318 ptn26.f#6:1:13 319 ptn26.f#7:1:13 320 ptn26.f#8:1:13 321 ptn26.f#9:1:13 322 ptn26.f#10:1:13 323 ptn26.f#11:1:13 324 ptn26.f#12:1:13 325 ptn26.f#13:1:13 326 ptn26.f#14:1:13 327 ptn26.f#15:1:13 328 tsw31.f#1:1:14 329 tsw31.f#2:1:14 330 tsw31.f#3:1:14 331 tsw31.f#4:1:14 332 tsw31.f#5:1:14 333 tsw31.f#6:1:14 334 tsw31.f#7:1:14 335 tsw31.f#8:1:14 336 tsw31.f#9:1:14 337 tsw31.f#10:1:14 338 tsw31.f#11:1:14 339 tsw31.f#12:1:14 340 tsw31.f#13:1:14 ANL-EBS-MD-000033 REV 00 ICN 1 VII-15 July 2000 Line # Value or Contents from NUFT Output File 341 tsw31.f#14:1:14 342 tsw31.f#15:1:14 343 tsw32.f#1:1:15 344 tsw32.f#2:1:15 345 tsw32.f#3:1:15 346 tsw32.f#4:1:15 347 tsw32.f#5:1:15 348 tsw32.f#6:1:15 349 tsw32.f#7:1:15 350 tsw32.f#8:1:15 351 tsw32.f#9:1:15 352 tsw32.f#10:1:15 353 tsw32.f#11:1:15 354 tsw32.f#12:1:15 355 tsw32.f#13:1:15 356 tsw32.f#14:1:15 357 tsw32.f#15:1:15 358 tsw32.f#1:1:16 359 tsw32.f#2:1:16 360 tsw32.f#3:1:16 361 tsw32.f#4:1:16 362 tsw32.f#5:1:16 363 tsw32.f#6:1:16 364 tsw32.f#7:1:16 365 tsw32.f#8:1:16 366 tsw32.f#9:1:16 367 tsw32.f#10:1:16 368 tsw32.f#11:1:16 369 tsw32.f#12:1:16 370 tsw32.f#13:1:16 371 tsw32.f#14:1:16 372 tsw32.f#15:1:16 373 tsw33.f#1:1:17 374 tsw33.f#2:1:17 375 tsw33.f#3:1:17 376 tsw33.f#4:1:17 377 tsw33.f#5:1:17 378 tsw33.f#6:1:17 379 tsw33.f#7:1:17 380 tsw33.f#8:1:17 381 tsw33.f#9:1:17 382 tsw33.f#10:1:17 383 tsw33.f#11:1:17 384 tsw33.f#12:1:17 385 tsw33.f#13:1:17 386 tsw33.f#14:1:17 387 tsw33.f#15:1:17 388 tsw33.f#1:1:18 389 tsw33.f#2:1:18 390 tsw33.f#3:1:18 391 tsw33.f#4:1:18 392 tsw33.f#5:1:18 393 tsw33.f#6:1:18 394 tsw33.f#7:1:18 395 tsw33.f#8:1:18 396 tsw33.f#9:1:18 397 tsw33.f#10:1:18 ANL-EBS-MD-000033 REV 00 ICN 1 VII-16 July 2000 Line # Value or Contents from NUFT Output File 398 tsw33.f#11:1:18 399 tsw33.f#12:1:18 400 tsw33.f#13:1:18 401 tsw33.f#14:1:18 402 tsw33.f#15:1:18 403 tsw33.f#1:1:19 404 tsw33.f#2:1:19 405 tsw33.f#3:1:19 406 tsw33.f#4:1:19 407 tsw33.f#5:1:19 408 tsw33.f#6:1:19 409 tsw33.f#7:1:19 410 tsw33.f#8:1:19 411 tsw33.f#9:1:19 412 tsw33.f#10:1:19 413 tsw33.f#11:1:19 414 tsw33.f#12:1:19 415 tsw33.f#13:1:19 416 tsw33.f#14:1:19 417 tsw33.f#15:1:19 418 tsw34.f#1:1:20 419 tsw34.f#2:1:20 420 tsw34.f#3:1:20 421 tsw34.f#4:1:20 422 tsw34.f#5:1:20 423 tsw34.f#6:1:20 424 tsw34.f#7:1:20 425 tsw34.f#8:1:20 426 tsw34.f#9:1:20 427 tsw34.f#10:1:20 428 tsw34.f#11:1:20 429 tsw34.f#12:1:20 430 tsw34.f#13:1:20 431 tsw34.f#14:1:20 432 tsw34.f#15:1:20 433 tsw34.f#1:1:21 434 tsw34.f#2:1:21 435 tsw34.f#3:1:21 436 tsw34.f#4:1:21 437 tsw34.f#5:1:21 438 tsw34.f#6:1:21 439 tsw34.f#7:1:21 440 tsw34.f#8:1:21 441 tsw34.f#9:1:21 442 tsw34.f#10:1:21 443 tsw34.f#11:1:21 444 tsw34.f#12:1:21 445 tsw34.f#13:1:21 446 tsw34.f#14:1:21 447 tsw34.f#15:1:21 448 tsw35.f#1:1:22 449 tsw35.f#2:1:22 450 tsw35.f#3:1:22 451 tsw35.f#4:1:22 452 tsw35.f#5:1:22 453 tsw35.f#6:1:22 454 tsw35.f#7:1:22 ANL-EBS-MD-000033 REV 00 ICN 1 VII-17 July 2000 Line # Value or Contents from NUFT Output File 455 tsw35.f#8:1:22 456 tsw35.f#9:1:22 457 tsw35.f#10:1:22 458 tsw35.f#11:1:22 459 tsw35.f#12:1:22 460 tsw35.f#13:1:22 461 tsw35.f#14:1:22 462 tsw35.f#15:1:22 463 tsw35.f#1:1:23 464 tsw35.f#2:1:23 465 tsw35.f#3:1:23 466 tsw35.f#4:1:23 467 tsw35.f#5:1:23 468 tsw35.f#6:1:23 469 tsw35.f#7:1:23 470 tsw35.f#8:1:23 471 tsw35.f#9:1:23 472 tsw35.f#10:1:23 473 tsw35.f#11:1:23 474 tsw35.f#12:1:23 475 tsw35.f#13:1:23 476 tsw35.f#14:1:23 477 tsw35.f#15:1:23 478 tsw35.f#1:1:24 479 tsw35.f#2:1:24 480 tsw35.f#3:1:24 481 tsw35.f#4:1:24 482 tsw35.f#5:1:24 483 tsw35.f#6:1:24 484 tsw35.f#7:1:24 485 tsw35.f#8:1:24 486 tsw35.f#9:1:24 487 tsw35.f#10:1:24 488 tsw35.f#11:1:24 489 tsw35.f#12:1:24 490 tsw35.f#13:1:24 491 tsw35.f#14:1:24 492 tsw35.f#15:1:24 493 tsw35.f#1:1:25 494 tsw35.f#2:1:25 495 tsw35.f#3:1:25 496 tsw35.f#4:1:25 497 tsw35.f#5:1:25 498 tsw35.f#6:1:25 499 tsw35.f#7:1:25 500 tsw35.f#8:1:25 501 tsw35.f#9:1:25 502 tsw35.f#10:1:25 503 tsw35.f#11:1:25 504 tsw35.f#12:1:25 505 tsw35.f#13:1:25 506 tsw35.f#14:1:25 507 tsw35.f#15:1:25 508 tsw35.f#1:1:26 509 tsw35.f#2:1:26 510 tsw35.f#3:1:26 511 tsw35.f#4:1:26 ANL-EBS-MD-000033 REV 00 ICN 1 VII-18 July 2000 Line # Value or Contents from NUFT Output File 512 tsw35.f#5:1:26 513 tsw35.f#6:1:26 514 tsw35.f#7:1:26 515 tsw35.f#8:1:26 516 tsw35.f#9:1:26 517 tsw35.f#10:1:26 518 tsw35.f#11:1:26 519 tsw35.f#12:1:26 520 tsw35.f#13:1:26 521 tsw35.f#14:1:26 522 tsw35.f#15:1:26 523 tsw35.f#1:1:27 524 tsw35.f#2:1:27 525 tsw35.f#3:1:27 526 tsw35.f#4:1:27 527 tsw35.f#5:1:27 528 tsw35.f#6:1:27 529 tsw35.f#7:1:27 530 tsw35.f#8:1:27 531 tsw35.f#9:1:27 532 tsw35.f#10:1:27 533 tsw35.f#11:1:27 534 tsw35.f#12:1:27 535 tsw35.f#13:1:27 536 tsw35.f#14:1:27 537 tsw35.f#15:1:27 538 tsw35_A0.f#1:1:28 539 tsw35_A0.f#2:1:28 540 tsw35_A0.f#3:1:28 541 tsw35_A0.f#4:1:28 542 tsw35_A0.f#5:1:28 543 tsw35_A0.f#6:1:28 544 tsw35_A0.f#7:1:28 545 tsw35_A0.f#8:1:28 546 tsw35_A0.f#9:1:28 547 tsw35_A0.f#10:1:28 548 tsw35_A0.f#11:1:28 549 tsw35_A0.f#12:1:28 550 tsw35_A0.f#13:1:28 551 tsw35_A0.f#14:1:28 552 tsw35_A0.f#15:1:28 553 hstrk_A1.f#1:1:29 554 hstrk_A1.f#2:1:29 555 hstrk_A1.f#3:1:29 556 hstrk_A1.f#4:1:29 557 hstrk_A1.f#5:1:29 558 hstrk_A1.f#6:1:29 559 hstrk_A1.f#7:1:29 560 hstrk_A1.f#8:1:29 561 hstrk_A1.f#9:1:29 562 hstrk_A1.f#10:1:29 563 hstrk_A1.f#11:1:29 564 hstrk_A1.f#12:1:29 565 hstrk_A1.f#13:1:29 566 hstrk_A1.f#14:1:29 567 hstrk_A1.f#15:1:29 568 hstrk_A1.f#1:1:30 ANL-EBS-MD-000033 REV 00 ICN 1 VII-19 July 2000 Line # Value or Contents from NUFT Output File 569 hstrk_A1.f#2:1:30 570 hstrk_A1.f#3:1:30 571 hstrk_A1.f#4:1:30 572 hstrk_A1.f#5:1:30 573 hstrk_A1.f#6:1:30 574 hstrk_A1.f#7:1:30 575 hstrk_A1.f#8:1:30 576 hstrk_A1.f#9:1:30 577 hstrk_A1.f#10:1:30 578 hstrk_A1.f#11:1:30 579 hstrk_A1.f#12:1:30 580 hstrk_A1.f#13:1:30 581 hstrk_A1.f#14:1:30 582 hstrk_A1.f#15:1:30 583 hstrk_A1.f#1:1:31 584 hstrk_A1.f#2:1:31 585 hstrk_A1.f#3:1:31 586 hstrk_A1.f#4:1:31 587 hstrk_A1.f#5:1:31 588 hstrk_A1.f#6:1:31 589 hstrk_A1.f#7:1:31 590 hstrk_A1.f#8:1:31 591 hstrk_A1.f#9:1:31 592 hstrk_A1.f#10:1:31 593 hstrk_A1.f#11:1:31 594 hstrk_A1.f#12:1:31 595 hstrk_A1.f#13:1:31 596 hstrk_A1.f#14:1:31 597 hstrk_A1.f#15:1:31 598 hstrk_A1.f#1:1:32 599 hstrk_A1.f#2:1:32 600 hstrk_A1.f#3:1:32 601 hstrk_A1.f#4:1:32 602 hstrk_A1.f#5:1:32 603 hstrk_A1.f#6:1:32 604 hstrk_A1.f#7:1:32 605 hstrk_A1.f#8:1:32 606 hstrk_A1.f#9:1:32 607 hstrk_A1.f#10:1:32 608 hstrk_A1.f#11:1:32 609 hstrk_A1.f#12:1:32 610 hstrk_A1.f#13:1:32 611 hstrk_A1.f#14:1:32 612 hstrk_A1.f#15:1:32 613 hstrk_A1.f#1:1:33 614 hstrk_A1.f#2:1:33 615 hstrk_A1.f#3:1:33 616 hstrk_A1.f#4:1:33 617 hstrk_A1.f#5:1:33 618 hstrk_A1.f#6:1:33 619 hstrk_A1.f#7:1:33 620 hstrk_A1.f#8:1:33 621 hstrk_A1.f#9:1:33 622 hstrk_A1.f#10:1:33 623 hstrk_A1.f#11:1:33 624 hstrk_A1.f#12:1:33 625 hstrk_A1.f#13:1:33 ANL-EBS-MD-000033 REV 00 ICN 1 VII-20 July 2000 Line # Value or Contents from NUFT Output File 626 hstrk_A1.f#14:1:33 627 hstrk_A1.f#15:1:33 628 hstrk_A1.f#1:1:34 629 hstrk_A1.f#2:1:34 630 hstrk_A1.f#3:1:34 631 hstrk_A1.f#4:1:34 632 hstrk_A1.f#5:1:34 633 hstrk_A1.f#6:1:34 634 hstrk_A1.f#7:1:34 635 hstrk_A1.f#8:1:34 636 hstrk_A1.f#9:1:34 637 hstrk_A1.f#10:1:34 638 hstrk_A1.f#11:1:34 639 hstrk_A1.f#12:1:34 640 hstrk_A1.f#13:1:34 641 hstrk_A1.f#14:1:34 642 hstrk_A1.f#15:1:34 643 hstrk_A2.f#1:1:35 644 hstrk_A1.f#2:1:35 645 hstrk_A1.f#3:1:35 646 hstrk_A1.f#4:1:35 647 hstrk_A1.f#5:1:35 648 hstrk_A1.f#6:1:35 649 hstrk_A1.f#7:1:35 650 hstrk_A1.f#8:1:35 651 hstrk_A1.f#9:1:35 652 hstrk_A1.f#10:1:35 653 hstrk_A1.f#11:1:35 654 hstrk_A1.f#12:1:35 655 hstrk_A1.f#13:1:35 656 hstrk_A1.f#14:1:35 657 hstrk_A1.f#15:1:35 658 dr_A3.f#1:1:36 659 hstrk_A2.f#2:1:36 660 hstrk_A2.f#3:1:36 661 hstrk_A1.f#4:1:36 662 hstrk_A1.f#5:1:36 663 hstrk_A1.f#6:1:36 664 hstrk_A1.f#7:1:36 665 hstrk_A1.f#8:1:36 666 hstrk_A1.f#9:1:36 667 hstrk_A1.f#10:1:36 668 hstrk_A1.f#11:1:36 669 hstrk_A1.f#12:1:36 670 hstrk_A1.f#13:1:36 671 hstrk_A1.f#14:1:36 672 hstrk_A1.f#15:1:36 673 dr_A3.f#1:1:37 674 dr_A3.f#2:1:37 675 dr_A3.f#3:1:37 676 hstrk_A2.f#4:1:37 677 hstrk_A1.f#5:1:37 678 hstrk_A1.f#6:1:37 679 hstrk_A1.f#7:1:37 680 hstrk_A1.f#8:1:37 681 hstrk_A1.f#9:1:37 682 hstrk_A1.f#10:1:37 ANL-EBS-MD-000033 REV 00 ICN 1 VII-21 July 2000 Line # Value or Contents from NUFT Output File 683 hstrk_A1.f#11:1:37 684 hstrk_A1.f#12:1:37 685 hstrk_A1.f#13:1:37 686 hstrk_A1.f#14:1:37 687 hstrk_A1.f#15:1:37 688 dr_A3.f#1:1:38 689 dr_A3.f#2:1:38 690 dr_A3.f#3:1:38 691 dr_A3.f#4:1:38 692 hstrk_A2.f#5:1:38 693 hstrk_A1.f#6:1:38 694 hstrk_A1.f#7:1:38 695 hstrk_A1.f#8:1:38 696 hstrk_A1.f#9:1:38 697 hstrk_A1.f#10:1:38 698 hstrk_A1.f#11:1:38 699 hstrk_A1.f#12:1:38 700 hstrk_A1.f#13:1:38 701 hstrk_A1.f#14:1:38 702 hstrk_A1.f#15:1:38 703 bf_A3.f#1:1:39 704 dr_A3.f#2:1:39 705 dr_A3.f#3:1:39 706 dr_A3.f#4:1:39 707 hstrk_A2.f#5:1:39 708 hstrk_A1.f#6:1:39 709 hstrk_A1.f#7:1:39 710 hstrk_A1.f#8:1:39 711 hstrk_A1.f#9:1:39 712 hstrk_A1.f#10:1:39 713 hstrk_A1.f#11:1:39 714 hstrk_A1.f#12:1:39 715 hstrk_A1.f#13:1:39 716 hstrk_A1.f#14:1:39 717 hstrk_A1.f#15:1:39 718 bf_A3.f#1:1:40 719 bf_A3.f#2:1:40 720 dr_A3.f#3:1:40 721 dr_A3.f#4:1:40 722 dr_A3.f#5:1:40 723 hstrk_A2.f#6:1:40 724 hstrk_A1.f#7:1:40 725 hstrk_A1.f#8:1:40 726 hstrk_A1.f#9:1:40 727 hstrk_A1.f#10:1:40 728 hstrk_A1.f#11:1:40 729 hstrk_A1.f#12:1:40 730 hstrk_A1.f#13:1:40 731 hstrk_A1.f#14:1:40 732 hstrk_A1.f#15:1:40 733 bf_A3.f#1:1:41 734 bf_A3.f#2:1:41 735 bf_A3.f#3:1:41 736 dr_A3.f#4:1:41 737 dr_A3.f#5:1:41 738 hstrk_A2.f#6:1:41 739 hstrk_A1.f#7:1:41 ANL-EBS-MD-000033 REV 00 ICN 1 VII-22 July 2000 Line # Value or Contents from NUFT Output File 740 hstrk_A1.f#8:1:41 741 hstrk_A1.f#9:1:41 742 hstrk_A1.f#10:1:41 743 hstrk_A1.f#11:1:41 744 hstrk_A1.f#12:1:41 745 hstrk_A1.f#13:1:41 746 hstrk_A1.f#14:1:41 747 hstrk_A1.f#15:1:41 748 bf_A3.f#1:1:42 749 bf_A3.f#2:1:42 750 bf_A3.f#3:1:42 751 bf_A3.f#4:1:42 752 dr_A3.f#5:1:42 753 dr_A3.f#6:1:42 754 hstrk_A2.f#7:1:42 755 hstrk_A1.f#8:1:42 756 hstrk_A1.f#9:1:42 757 hstrk_A1.f#10:1:42 758 hstrk_A1.f#11:1:42 759 hstrk_A1.f#12:1:42 760 hstrk_A1.f#13:1:42 761 hstrk_A1.f#14:1:42 762 hstrk_A1.f#15:1:42 763 bf_A3.f#1:1:43 764 bf_A3.f#2:1:43 765 bf_A3.f#3:1:43 766 bf_A3.f#4:1:43 767 bf_A3.f#5:1:43 768 dr_A3.f#6:1:43 769 hstrk_A2.f#7:1:43 770 hstrk_A1.f#8:1:43 771 hstrk_A1.f#9:1:43 772 hstrk_A1.f#10:1:43 773 hstrk_A1.f#11:1:43 774 hstrk_A1.f#12:1:43 775 hstrk_A1.f#13:1:43 776 hstrk_A1.f#14:1:43 777 hstrk_A1.f#15:1:43 778 bf_A3.f#1:1:44 779 bf_A3.f#2:1:44 780 bf_A3.f#3:1:44 781 bf_A3.f#4:1:44 782 bf_A3.f#5:1:44 783 bf_A3.f#6:1:44 784 hstrk_A2.f#7:1:44 785 hstrk_A1.f#8:1:44 786 hstrk_A1.f#9:1:44 787 hstrk_A1.f#10:1:44 788 hstrk_A1.f#11:1:44 789 hstrk_A1.f#12:1:44 790 hstrk_A1.f#13:1:44 791 hstrk_A1.f#14:1:44 792 hstrk_A1.f#15:1:44 793 bf_A3.f#1:1:45 794 bf_A3.f#2:1:45 795 bf_A3.f#3:1:45 796 bf_A3.f#4:1:45 ANL-EBS-MD-000033 REV 00 ICN 1 VII-23 July 2000 Line # Value or Contents from NUFT Output File 797 bf_A3.f#5:1:45 798 bf_A3.f#6:1:45 799 bf_A3.f#7:1:45 800 hstrk_A2.f#8:1:45 801 hstrk_A1.f#9:1:45 802 hstrk_A1.f#10:1:45 803 hstrk_A1.f#11:1:45 804 hstrk_A1.f#12:1:45 805 hstrk_A1.f#13:1:45 806 hstrk_A1.f#14:1:45 807 hstrk_A1.f#15:1:45 808 dr_A4.f#1:1:46 809 bf_A3.f#2:1:46 810 bf_A3.f#3:1:46 811 bf_A3.f#4:1:46 812 bf_A3.f#5:1:46 813 bf_A3.f#6:1:46 814 bf_A3.f#7:1:46 815 hstrk_A2.f#8:1:46 816 hstrk_A1.f#9:1:46 817 hstrk_A1.f#10:1:46 818 hstrk_A1.f#11:1:46 819 hstrk_A1.f#12:1:46 820 hstrk_A1.f#13:1:46 821 hstrk_A1.f#14:1:46 822 hstrk_A1.f#15:1:46 823 wp.f#1:1:47 824 dr_A4.f#2:1:47 825 bf_A3.f#3:1:47 826 bf_A3.f#4:1:47 827 bf_A3.f#5:1:47 828 bf_A3.f#6:1:47 829 bf_A3.f#7:1:47 830 hstrk_A2.f#8:1:47 831 hstrk_A1.f#9:1:47 832 hstrk_A1.f#10:1:47 833 hstrk_A1.f#11:1:47 834 hstrk_A1.f#12:1:47 835 hstrk_A1.f#13:1:47 836 hstrk_A1.f#14:1:47 837 hstrk_A1.f#15:1:47 838 wp.f#1:1:48 839 wp.f#2:1:48 840 dr_A4.f#3:1:48 841 bf_A3.f#4:1:48 842 bf_A3.f#5:1:48 843 bf_A3.f#6:1:48 844 bf_A3.f#7:1:48 845 hstrk_A2.f#8:1:48 846 hstrk_A1.f#9:1:48 847 hstrk_A1.f#10:1:48 848 hstrk_A1.f#11:1:48 849 hstrk_A1.f#12:1:48 850 hstrk_A1.f#13:1:48 851 hstrk_A1.f#14:1:48 852 hstrk_A1.f#15:1:48 853 wp.f#1:1:49 ANL-EBS-MD-000033 REV 00 ICN 1 VII-24 July 2000 Line # Value or Contents from NUFT Output File 854 wp.f#2:1:49 855 wp.f#3:1:49 856 dr_A4.f#4:1:49 857 bf_A3.f#5:1:49 858 bf_A3.f#6:1:49 859 bf_A3.f#7:1:49 860 hstrk_A2.f#8:1:49 861 hstrk_A1.f#9:1:49 862 hstrk_A1.f#10:1:49 863 hstrk_A1.f#11:1:49 864 hstrk_A1.f#12:1:49 865 hstrk_A1.f#13:1:49 866 hstrk_A1.f#14:1:49 867 hstrk_A1.f#15:1:49 868 wp.f#1:1:50 869 wp.f#2:1:50 870 wp.f#3:1:50 871 dr_A5.f#4:1:50 872 dr_A5.f#5:1:50 873 dr_A5.f#6:1:50 874 hstrk_A1.f#7:1:50 875 hstrk_A1.f#8:1:50 876 hstrk_A1.f#9:1:50 877 hstrk_A1.f#10:1:50 878 hstrk_A1.f#11:1:50 879 hstrk_A1.f#12:1:50 880 hstrk_A1.f#13:1:50 881 hstrk_A1.f#14:1:50 882 hstrk_A1.f#15:1:50 883 wp.f#1:1:51 884 wp.f#2:1:51 885 wp.f#3:1:51 886 dr_A5.f#4:1:51 887 dr_A5.f#5:1:51 888 hstrk_A1.f#6:1:51 889 hstrk_A1.f#7:1:51 890 hstrk_A1.f#8:1:51 891 hstrk_A1.f#9:1:51 892 hstrk_A1.f#10:1:51 893 hstrk_A1.f#11:1:51 894 hstrk_A1.f#12:1:51 895 hstrk_A1.f#13:1:51 896 hstrk_A1.f#14:1:51 897 hstrk_A1.f#15:1:51 898 in_A6.f#1:1:52 899 in_A6.f#2:1:52 900 in_A6.f#3:1:52 901 in_A6.f#4:1:52 902 hstrk_A1.f#5:1:52 903 hstrk_A1.f#6:1:52 904 hstrk_A1.f#7:1:52 905 hstrk_A1.f#8:1:52 906 hstrk_A1.f#9:1:52 907 hstrk_A1.f#10:1:52 908 hstrk_A1.f#11:1:52 909 hstrk_A1.f#12:1:52 910 hstrk_A1.f#13:1:52 ANL-EBS-MD-000033 REV 00 ICN 1 VII-25 July 2000 Line # Value or Contents from NUFT Output File 911 hstrk_A1.f#14:1:52 912 hstrk_A1.f#15:1:52 913 in_A6.f#1:1:53 914 in_A6.f#2:1:53 915 hstrk_A1.f#3:1:53 916 hstrk_A1.f#4:1:53 917 hstrk_A1.f#5:1:53 918 hstrk_A1.f#6:1:53 919 hstrk_A1.f#7:1:53 920 hstrk_A1.f#8:1:53 921 hstrk_A1.f#9:1:53 922 hstrk_A1.f#10:1:53 923 hstrk_A1.f#11:1:53 924 hstrk_A1.f#12:1:53 925 hstrk_A1.f#13:1:53 926 hstrk_A1.f#14:1:53 927 hstrk_A1.f#15:1:53 928 hstrk_A1.f#1:1:54 929 hstrk_A1.f#2:1:54 930 hstrk_A1.f#3:1:54 931 hstrk_A1.f#4:1:54 932 hstrk_A1.f#5:1:54 933 hstrk_A1.f#6:1:54 934 hstrk_A1.f#7:1:54 935 hstrk_A1.f#8:1:54 936 hstrk_A1.f#9:1:54 937 hstrk_A1.f#10:1:54 938 hstrk_A1.f#11:1:54 939 hstrk_A1.f#12:1:54 940 hstrk_A1.f#13:1:54 941 hstrk_A1.f#14:1:54 942 hstrk_A1.f#15:1:54 943 hstrk_A1.f#1:1:55 944 hstrk_A1.f#2:1:55 945 hstrk_A1.f#3:1:55 946 hstrk_A1.f#4:1:55 947 hstrk_A1.f#5:1:55 948 hstrk_A1.f#6:1:55 949 hstrk_A1.f#7:1:55 950 hstrk_A1.f#8:1:55 951 hstrk_A1.f#9:1:55 952 hstrk_A1.f#10:1:55 953 hstrk_A1.f#11:1:55 954 hstrk_A1.f#12:1:55 955 hstrk_A1.f#13:1:55 956 hstrk_A1.f#14:1:55 957 hstrk_A1.f#15:1:55 958 hstrk_A1.f#1:1:56 959 hstrk_A1.f#2:1:56 960 hstrk_A1.f#3:1:56 961 hstrk_A1.f#4:1:56 962 hstrk_A1.f#5:1:56 963 hstrk_A1.f#6:1:56 964 hstrk_A1.f#7:1:56 965 hstrk_A1.f#8:1:56 966 hstrk_A1.f#9:1:56 967 hstrk_A1.f#10:1:56 ANL-EBS-MD-000033 REV 00 ICN 1 VII-26 July 2000 Line # Value or Contents from NUFT Output File 968 hstrk_A1.f#11:1:56 969 hstrk_A1.f#12:1:56 970 hstrk_A1.f#13:1:56 971 hstrk_A1.f#14:1:56 972 hstrk_A1.f#15:1:56 973 tsw35.f#1:1:57 974 tsw35.f#2:1:57 975 tsw35.f#3:1:57 976 tsw35.f#4:1:57 977 tsw35.f#5:1:57 978 tsw35.f#6:1:57 979 tsw35.f#7:1:57 980 tsw35.f#8:1:57 981 tsw35.f#9:1:57 982 tsw35.f#10:1:57 983 tsw35.f#11:1:57 984 tsw35.f#12:1:57 985 tsw35.f#13:1:57 986 tsw35.f#14:1:57 987 tsw35.f#15:1:57 988 tsw35.f#1:1:58 989 tsw35.f#2:1:58 990 tsw35.f#3:1:58 991 tsw35.f#4:1:58 992 tsw35.f#5:1:58 993 tsw35.f#6:1:58 994 tsw35.f#7:1:58 995 tsw35.f#8:1:58 996 tsw35.f#9:1:58 997 tsw35.f#10:1:58 998 tsw35.f#11:1:58 999 tsw35.f#12:1:58 1000 tsw35.f#13:1:58 1001 tsw35.f#14:1:58 1002 tsw35.f#15:1:58 1003 tsw35.f#1:1:59 1004 tsw35.f#2:1:59 1005 tsw35.f#3:1:59 1006 tsw35.f#4:1:59 1007 tsw35.f#5:1:59 1008 tsw35.f#6:1:59 1009 tsw35.f#7:1:59 1010 tsw35.f#8:1:59 1011 tsw35.f#9:1:59 1012 tsw35.f#10:1:59 1013 tsw35.f#11:1:59 1014 tsw35.f#12:1:59 1015 tsw35.f#13:1:59 1016 tsw35.f#14:1:59 1017 tsw35.f#15:1:59 1018 tsw35.f#1:1:60 1019 tsw35.f#2:1:60 1020 tsw35.f#3:1:60 1021 tsw35.f#4:1:60 1022 tsw35.f#5:1:60 1023 tsw35.f#6:1:60 1024 tsw35.f#7:1:60 ANL-EBS-MD-000033 REV 00 ICN 1 VII-27 July 2000 Line # Value or Contents from NUFT Output File 1025 tsw35.f#8:1:60 1026 tsw35.f#9:1:60 1027 tsw35.f#10:1:60 1028 tsw35.f#11:1:60 1029 tsw35.f#12:1:60 1030 tsw35.f#13:1:60 1031 tsw35.f#14:1:60 1032 tsw35.f#15:1:60 1033 tsw35.f#1:1:61 1034 tsw35.f#2:1:61 1035 tsw35.f#3:1:61 1036 tsw35.f#4:1:61 1037 tsw35.f#5:1:61 1038 tsw35.f#6:1:61 1039 tsw35.f#7:1:61 1040 tsw35.f#8:1:61 1041 tsw35.f#9:1:61 1042 tsw35.f#10:1:61 1043 tsw35.f#11:1:61 1044 tsw35.f#12:1:61 1045 tsw35.f#13:1:61 1046 tsw35.f#14:1:61 1047 tsw35.f#15:1:61 1048 tsw35.f#1:1:62 1049 tsw35.f#2:1:62 1050 tsw35.f#3:1:62 1051 tsw35.f#4:1:62 1052 tsw35.f#5:1:62 1053 tsw35.f#6:1:62 1054 tsw35.f#7:1:62 1055 tsw35.f#8:1:62 1056 tsw35.f#9:1:62 1057 tsw35.f#10:1:62 1058 tsw35.f#11:1:62 1059 tsw35.f#12:1:62 1060 tsw35.f#13:1:62 1061 tsw35.f#14:1:62 1062 tsw35.f#15:1:62 1063 tsw35.f#1:1:63 1064 tsw35.f#2:1:63 1065 tsw35.f#3:1:63 1066 tsw35.f#4:1:63 1067 tsw35.f#5:1:63 1068 tsw35.f#6:1:63 1069 tsw35.f#7:1:63 1070 tsw35.f#8:1:63 1071 tsw35.f#9:1:63 1072 tsw35.f#10:1:63 1073 tsw35.f#11:1:63 1074 tsw35.f#12:1:63 1075 tsw35.f#13:1:63 1076 tsw35.f#14:1:63 1077 tsw35.f#15:1:63 1078 tsw35.f#1:1:64 1079 tsw35.f#2:1:64 1080 tsw35.f#3:1:64 1081 tsw35.f#4:1:64 ANL-EBS-MD-000033 REV 00 ICN 1 VII-28 July 2000 Line # Value or Contents from NUFT Output File 1082 tsw35.f#5:1:64 1083 tsw35.f#6:1:64 1084 tsw35.f#7:1:64 1085 tsw35.f#8:1:64 1086 tsw35.f#9:1:64 1087 tsw35.f#10:1:64 1088 tsw35.f#11:1:64 1089 tsw35.f#12:1:64 1090 tsw35.f#13:1:64 1091 tsw35.f#14:1:64 1092 tsw35.f#15:1:64 1093 tsw35.f#1:1:65 1094 tsw35.f#2:1:65 1095 tsw35.f#3:1:65 1096 tsw35.f#4:1:65 1097 tsw35.f#5:1:65 1098 tsw35.f#6:1:65 1099 tsw35.f#7:1:65 1100 tsw35.f#8:1:65 1101 tsw35.f#9:1:65 1102 tsw35.f#10:1:65 1103 tsw35.f#11:1:65 1104 tsw35.f#12:1:65 1105 tsw35.f#13:1:65 1106 tsw35.f#14:1:65 1107 tsw35.f#15:1:65 1108 tsw36.f#1:1:66 1109 tsw36.f#2:1:66 1110 tsw36.f#3:1:66 1111 tsw36.f#4:1:66 1112 tsw36.f#5:1:66 1113 tsw36.f#6:1:66 1114 tsw36.f#7:1:66 1115 tsw36.f#8:1:66 1116 tsw36.f#9:1:66 1117 tsw36.f#10:1:66 1118 tsw36.f#11:1:66 1119 tsw36.f#12:1:66 1120 tsw36.f#13:1:66 1121 tsw36.f#14:1:66 1122 tsw36.f#15:1:66 1123 tsw36.f#1:1:67 1124 tsw36.f#2:1:67 1125 tsw36.f#3:1:67 1126 tsw36.f#4:1:67 1127 tsw36.f#5:1:67 1128 tsw36.f#6:1:67 1129 tsw36.f#7:1:67 1130 tsw36.f#8:1:67 1131 tsw36.f#9:1:67 1132 tsw36.f#10:1:67 1133 tsw36.f#11:1:67 1134 tsw36.f#12:1:67 1135 tsw36.f#13:1:67 1136 tsw36.f#14:1:67 1137 tsw36.f#15:1:67 1138 tsw37.f#1:1:68 ANL-EBS-MD-000033 REV 00 ICN 1 VII-29 July 2000 Line # Value or Contents from NUFT Output File 1139 tsw37.f#2:1:68 1140 tsw37.f#3:1:68 1141 tsw37.f#4:1:68 1142 tsw37.f#5:1:68 1143 tsw37.f#6:1:68 1144 tsw37.f#7:1:68 1145 tsw37.f#8:1:68 1146 tsw37.f#9:1:68 1147 tsw37.f#10:1:68 1148 tsw37.f#11:1:68 1149 tsw37.f#12:1:68 1150 tsw37.f#13:1:68 1151 tsw37.f#14:1:68 1152 tsw37.f#15:1:68 1153 tsw38.f#1:1:69 1154 tsw38.f#2:1:69 1155 tsw38.f#3:1:69 1156 tsw38.f#4:1:69 1157 tsw38.f#5:1:69 1158 tsw38.f#6:1:69 1159 tsw38.f#7:1:69 1160 tsw38.f#8:1:69 1161 tsw38.f#9:1:69 1162 tsw38.f#10:1:69 1163 tsw38.f#11:1:69 1164 tsw38.f#12:1:69 1165 tsw38.f#13:1:69 1166 tsw38.f#14:1:69 1167 tsw38.f#15:1:69 1168 tsw39.f#1:1:70 1169 tsw39.f#2:1:70 1170 tsw39.f#3:1:70 1171 tsw39.f#4:1:70 1172 tsw39.f#5:1:70 1173 tsw39.f#6:1:70 1174 tsw39.f#7:1:70 1175 tsw39.f#8:1:70 1176 tsw39.f#9:1:70 1177 tsw39.f#10:1:70 1178 tsw39.f#11:1:70 1179 tsw39.f#12:1:70 1180 tsw39.f#13:1:70 1181 tsw39.f#14:1:70 1182 tsw39.f#15:1:70 1183 ch1v.f#1:1:71 1184 ch1v.f#2:1:71 1185 ch1v.f#3:1:71 1186 ch1v.f#4:1:71 1187 ch1v.f#5:1:71 1188 ch1v.f#6:1:71 1189 ch1v.f#7:1:71 1190 ch1v.f#8:1:71 1191 ch1v.f#9:1:71 1192 ch1v.f#10:1:71 1193 ch1v.f#11:1:71 1194 ch1v.f#12:1:71 1195 ch1v.f#13:1:71 ANL-EBS-MD-000033 REV 00 ICN 1 VII-30 July 2000 Line # Value or Contents from NUFT Output File 1196 ch1v.f#14:1:71 1197 ch1v.f#15:1:71 1198 ch2z.f#1:1:72 1199 ch2z.f#2:1:72 1200 ch2z.f#3:1:72 1201 ch2z.f#4:1:72 1202 ch2z.f#5:1:72 1203 ch2z.f#6:1:72 1204 ch2z.f#7:1:72 1205 ch2z.f#8:1:72 1206 ch2z.f#9:1:72 1207 ch2z.f#10:1:72 1208 ch2z.f#11:1:72 1209 ch2z.f#12:1:72 1210 ch2z.f#13:1:72 1211 ch2z.f#14:1:72 1212 ch2z.f#15:1:72 1213 ch3z.f#1:1:73 1214 ch3z.f#2:1:73 1215 ch3z.f#3:1:73 1216 ch3z.f#4:1:73 1217 ch3z.f#5:1:73 1218 ch3z.f#6:1:73 1219 ch3z.f#7:1:73 1220 ch3z.f#8:1:73 1221 ch3z.f#9:1:73 1222 ch3z.f#10:1:73 1223 ch3z.f#11:1:73 1224 ch3z.f#12:1:73 1225 ch3z.f#13:1:73 1226 ch3z.f#14:1:73 1227 ch3z.f#15:1:73 1228 ch4z.f#1:1:74 1229 ch4z.f#2:1:74 1230 ch4z.f#3:1:74 1231 ch4z.f#4:1:74 1232 ch4z.f#5:1:74 1233 ch4z.f#6:1:74 1234 ch4z.f#7:1:74 1235 ch4z.f#8:1:74 1236 ch4z.f#9:1:74 1237 ch4z.f#10:1:74 1238 ch4z.f#11:1:74 1239 ch4z.f#12:1:74 1240 ch4z.f#13:1:74 1241 ch4z.f#14:1:74 1242 ch4z.f#15:1:74 1243 ch5z.f#1:1:75 1244 ch5z.f#2:1:75 1245 ch5z.f#3:1:75 1246 ch5z.f#4:1:75 1247 ch5z.f#5:1:75 1248 ch5z.f#6:1:75 1249 ch5z.f#7:1:75 1250 ch5z.f#8:1:75 1251 ch5z.f#9:1:75 1252 ch5z.f#10:1:75 ANL-EBS-MD-000033 REV 00 ICN 1 VII-31 July 2000 Line # Value or Contents from NUFT Output File 1253 ch5z.f#11:1:75 1254 ch5z.f#12:1:75 1255 ch5z.f#13:1:75 1256 ch5z.f#14:1:75 1257 ch5z.f#15:1:75 1258 ch6.f#1:1:76 1259 ch6.f#2:1:76 1260 ch6.f#3:1:76 1261 ch6.f#4:1:76 1262 ch6.f#5:1:76 1263 ch6.f#6:1:76 1264 ch6.f#7:1:76 1265 ch6.f#8:1:76 1266 ch6.f#9:1:76 1267 ch6.f#10:1:76 1268 ch6.f#11:1:76 1269 ch6.f#12:1:76 1270 ch6.f#13:1:76 1271 ch6.f#14:1:76 1272 ch6.f#15:1:76 1273 pp4.f#1:1:77 1274 pp4.f#2:1:77 1275 pp4.f#3:1:77 1276 pp4.f#4:1:77 1277 pp4.f#5:1:77 1278 pp4.f#6:1:77 1279 pp4.f#7:1:77 1280 pp4.f#8:1:77 1281 pp4.f#9:1:77 1282 pp4.f#10:1:77 1283 pp4.f#11:1:77 1284 pp4.f#12:1:77 1285 pp4.f#13:1:77 1286 pp4.f#14:1:77 1287 pp4.f#15:1:77 1288 pp3.f#1:1:78 1289 pp3.f#2:1:78 1290 pp3.f#3:1:78 1291 pp3.f#4:1:78 1292 pp3.f#5:1:78 1293 pp3.f#6:1:78 1294 pp3.f#7:1:78 1295 pp3.f#8:1:78 1296 pp3.f#9:1:78 1297 pp3.f#10:1:78 1298 pp3.f#11:1:78 1299 pp3.f#12:1:78 1300 pp3.f#13:1:78 1301 pp3.f#14:1:78 1302 pp3.f#15:1:78 1303 pp3.f#1:1:79 1304 pp3.f#2:1:79 1305 pp3.f#3:1:79 1306 pp3.f#4:1:79 1307 pp3.f#5:1:79 1308 pp3.f#6:1:79 1309 pp3.f#7:1:79 ANL-EBS-MD-000033 REV 00 ICN 1 VII-32 July 2000 Line # Value or Contents from NUFT Output File 1310 pp3.f#8:1:79 1311 pp3.f#9:1:79 1312 pp3.f#10:1:79 1313 pp3.f#11:1:79 1314 pp3.f#12:1:79 1315 pp3.f#13:1:79 1316 pp3.f#14:1:79 1317 pp3.f#15:1:79 1318 pp2.f#1:1:80 1319 pp2.f#2:1:80 1320 pp2.f#3:1:80 1321 pp2.f#4:1:80 1322 pp2.f#5:1:80 1323 pp2.f#6:1:80 1324 pp2.f#7:1:80 1325 pp2.f#8:1:80 1326 pp2.f#9:1:80 1327 pp2.f#10:1:80 1328 pp2.f#11:1:80 1329 pp2.f#12:1:80 1330 pp2.f#13:1:80 1331 pp2.f#14:1:80 1332 pp2.f#15:1:80 1333 pp1.f#1:1:81 1334 pp1.f#2:1:81 1335 pp1.f#3:1:81 1336 pp1.f#4:1:81 1337 pp1.f#5:1:81 1338 pp1.f#6:1:81 1339 pp1.f#7:1:81 1340 pp1.f#8:1:81 1341 pp1.f#9:1:81 1342 pp1.f#10:1:81 1343 pp1.f#11:1:81 1344 pp1.f#12:1:81 1345 pp1.f#13:1:81 1346 pp1.f#14:1:81 1347 pp1.f#15:1:81 1348 pp1.f#1:1:82 1349 pp1.f#2:1:82 1350 pp1.f#3:1:82 1351 pp1.f#4:1:82 1352 pp1.f#5:1:82 1353 pp1.f#6:1:82 1354 pp1.f#7:1:82 1355 pp1.f#8:1:82 1356 pp1.f#9:1:82 1357 pp1.f#10:1:82 1358 pp1.f#11:1:82 1359 pp1.f#12:1:82 1360 pp1.f#13:1:82 1361 pp1.f#14:1:82 1362 pp1.f#15:1:82 1363 pp1.f#1:1:83 1364 pp1.f#2:1:83 1365 pp1.f#3:1:83 1366 pp1.f#4:1:83 ANL-EBS-MD-000033 REV 00 ICN 1 VII-33 July 2000 Line # Value or Contents from NUFT Output File 1367 pp1.f#5:1:83 1368 pp1.f#6:1:83 1369 pp1.f#7:1:83 1370 pp1.f#8:1:83 1371 pp1.f#9:1:83 1372 pp1.f#10:1:83 1373 pp1.f#11:1:83 1374 pp1.f#12:1:83 1375 pp1.f#13:1:83 1376 pp1.f#14:1:83 1377 pp1.f#15:1:83 1378 bf3.f#1:1:84 1379 bf3.f#2:1:84 1380 bf3.f#3:1:84 1381 bf3.f#4:1:84 1382 bf3.f#5:1:84 1383 bf3.f#6:1:84 1384 bf3.f#7:1:84 1385 bf3.f#8:1:84 1386 bf3.f#9:1:84 1387 bf3.f#10:1:84 1388 bf3.f#11:1:84 1389 bf3.f#12:1:84 1390 bf3.f#13:1:84 1391 bf3.f#14:1:84 1392 bf3.f#15:1:84 1393 wt.f#1:1:85 1394 wt.f#2:1:85 1395 wt.f#3:1:85 1396 wt.f#4:1:85 1397 wt.f#5:1:85 1398 wt.f#6:1:85 1399 wt.f#7:1:85 1400 wt.f#8:1:85 1401 wt.f#9:1:85 1402 wt.f#10:1:85 1403 wt.f#11:1:85 1404 wt.f#12:1:85 1405 wt.f#13:1:85 1406 wt.f#14:1:85 1407 wt.f#15:1:85 Break 3889 1.5779E+09 3890 1 3891 1275 3892 15.91000 3893 15.91000 3894 15.91000 3895 15.91000 3896 15.91000 3897 15.91000 3898 15.91000 3899 15.91000 3900 15.91000 3901 15.91000 3902 15.91000 3903 15.91000 ANL-EBS-MD-000033 REV 00 ICN 1 VII-34 July 2000 Line # Value or Contents from NUFT Output File 3904 15.91000 3905 15.91000 3906 15.91000 3907 15.96869 3908 15.96869 3909 15.96869 3910 15.96869 3911 15.96869 3912 15.96869 3913 15.96869 3914 15.96869 3915 15.96869 3916 15.96869 3917 15.96869 3918 15.96869 3919 15.96869 3920 15.96869 3921 15.96869 3922 16.08107 3923 16.08107 3924 16.08107 3925 16.08107 3926 16.08107 3927 16.08107 3928 16.08107 3929 16.08107 3930 16.08107 3931 16.08107 3932 16.08107 3933 16.08107 3934 16.08107 3935 16.08107 3936 16.08107 3937 16.24011 3938 16.24011 3939 16.24011 3940 16.24011 3941 16.24011 3942 16.24011 3943 16.24011 3944 16.24011 3945 16.24011 3946 16.24011 3947 16.24011 3948 16.24011 3949 16.24011 3950 16.24011 3951 16.24011 3952 16.46212 3953 16.46212 3954 16.46212 3955 16.46212 3956 16.46212 3957 16.46212 3958 16.46212 3959 16.46212 3960 16.46212 ANL-EBS-MD-000033 REV 00 ICN 1 VII-35 July 2000 Line # Value or Contents from NUFT Output File 3961 16.46212 3962 16.46212 3963 16.46212 3964 16.46212 3965 16.46212 3966 16.46212 3967 16.70019 3968 16.70019 3969 16.70019 3970 16.70019 3971 16.70019 3972 16.70019 3973 16.70019 3974 16.70019 3975 16.70019 3976 16.70019 3977 16.70019 3978 16.70019 3979 16.70019 3980 16.70019 3981 16.70019 3982 16.86466 3983 16.86466 3984 16.86466 3985 16.86466 3986 16.86466 3987 16.86466 3988 16.86466 3989 16.86466 3990 16.86466 3991 16.86466 3992 16.86466 3993 16.86466 3994 16.86466 3995 16.86466 3996 16.86466 3997 16.95939 3998 16.95939 3999 16.95939 4000 16.95939 4001 16.95939 4002 16.95939 4003 16.95939 4004 16.95939 4005 16.95939 4006 16.95939 4007 16.95939 4008 16.95939 4009 16.95939 4010 16.95939 4011 16.95939 4012 17.06151 4013 17.06151 4014 17.06151 4015 17.06151 4016 17.06151 4017 17.06151 ANL-EBS-MD-000033 REV 00 ICN 1 VII-36 July 2000 Line # Value or Contents from NUFT Output File 4018 17.06151 4019 17.06151 4020 17.06151 4021 17.06151 4022 17.06151 4023 17.06151 4024 17.06151 4025 17.06151 4026 17.06151 4027 17.13378 4028 17.13378 4029 17.13378 4030 17.13378 4031 17.13378 4032 17.13378 4033 17.13378 4034 17.13378 4035 17.13378 4036 17.13378 4037 17.13378 4038 17.13378 4039 17.13378 4040 17.13378 4041 17.13378 4042 17.22386 4043 17.22386 4044 17.22386 4045 17.22386 4046 17.22386 4047 17.22386 4048 17.22386 4049 17.22386 4050 17.22386 4051 17.22386 4052 17.22386 4053 17.22386 4054 17.22386 4055 17.22386 4056 17.22386 4057 17.50157 4058 17.50157 4059 17.50157 4060 17.50157 4061 17.50157 4062 17.50157 4063 17.50157 4064 17.50157 4065 17.50157 4066 17.50157 4067 17.50157 4068 17.50157 4069 17.50157 4070 17.50157 4071 17.50157 4072 18.00614 4073 18.00614 4074 18.00614 ANL-EBS-MD-000033 REV 00 ICN 1 VII-37 July 2000 Line # Value or Contents from NUFT Output File 4075 18.00614 4076 18.00614 4077 18.00614 4078 18.00614 4079 18.00614 4080 18.00614 4081 18.00614 4082 18.00614 4083 18.00614 4084 18.00614 4085 18.00614 4086 18.00614 4087 18.34796 4088 18.34796 4089 18.34796 4090 18.34796 4091 18.34796 4092 18.34796 4093 18.34796 4094 18.34796 4095 18.34796 4096 18.34796 4097 18.34796 4098 18.34796 4099 18.34796 4100 18.34796 4101 18.34795 4102 18.53079 4103 18.53079 4104 18.53079 4105 18.53079 4106 18.53079 4107 18.53079 4108 18.53079 4109 18.53079 4110 18.53079 4111 18.53079 4112 18.53079 4113 18.53079 4114 18.53079 4115 18.53078 4116 18.53078 4117 18.84190 4118 18.84190 4119 18.84190 4120 18.84190 4121 18.84190 4122 18.84190 4123 18.84190 4124 18.84190 4125 18.84190 4126 18.84190 4127 18.84190 4128 18.84189 4129 18.84188 4130 18.84186 4131 18.84183 ANL-EBS-MD-000033 REV 00 ICN 1 VII-38 July 2000 Line # Value or Contents from NUFT Output File 4132 19.22345 4133 19.22345 4134 19.22345 4135 19.22345 4136 19.22345 4137 19.22345 4138 19.22345 4139 19.22345 4140 19.22345 4141 19.22344 4142 19.22343 4143 19.22340 4144 19.22334 4145 19.22322 4146 19.22306 4147 19.81914 4148 19.81914 4149 19.81914 4150 19.81914 4151 19.81913 4152 19.81912 4153 19.81912 4154 19.81911 4155 19.81909 4156 19.81904 4157 19.81895 4158 19.81873 4159 19.81826 4160 19.81739 4161 19.81621 4162 21.02266 4163 21.02264 4164 21.02262 4165 21.02259 4166 21.02255 4167 21.02250 4168 21.02244 4169 21.02237 4170 21.02222 4171 21.02191 4172 21.02120 4173 21.01960 4174 21.01619 4175 21.00984 4176 21.00129 4177 23.06939 4178 23.06931 4179 23.06921 4180 23.06908 4181 23.06890 4182 23.06866 4183 23.06838 4184 23.06803 4185 23.06734 4186 23.06584 4187 23.06248 4188 23.05488 ANL-EBS-MD-000033 REV 00 ICN 1 VII-39 July 2000 Line # Value or Contents from NUFT Output File 4189 23.03875 4190 23.00883 4191 22.96871 4192 24.87262 4193 24.87243 4194 24.87221 4195 24.87190 4196 24.87147 4197 24.87091 4198 24.87026 4199 24.86944 4200 24.86782 4201 24.86432 4202 24.85648 4203 24.83873 4204 24.80118 4205 24.73187 4206 24.63979 4207 28.42035 4208 28.41972 4209 28.41896 4210 28.41791 4211 28.41647 4212 28.41455 4213 28.41235 4214 28.40957 4215 28.40412 4216 28.39228 4217 28.36582 4218 28.30608 4219 28.18071 4220 27.95281 4221 27.65833 4222 31.85312 4223 31.85179 4224 31.85020 4225 31.84801 4226 31.84500 4227 31.84098 4228 31.83637 4229 31.83057 4230 31.81917 4231 31.79444 4232 31.73933 4233 31.61546 4234 31.35831 4235 30.90059 4236 30.32893 4237 36.49836 4238 36.49543 4239 36.49193 4240 36.48711 4241 36.48047 4242 36.47162 4243 36.46148 4244 36.44873 4245 36.42371 ANL-EBS-MD-000033 REV 00 ICN 1 VII-40 July 2000 Line # Value or Contents from NUFT Output File 4246 36.36952 4247 36.24934 4248 35.98214 4249 35.44012 4250 34.51568 4251 33.43032 4252 41.71055 4253 41.70417 4254 41.69655 4255 41.68607 4256 41.67166 4257 41.65247 4258 41.63049 4259 41.60289 4260 41.54888 4261 41.43245 4262 41.17692 4263 40.62157 4264 39.54707 4265 37.85344 4266 36.04738 4267 45.86840 4268 45.85721 4269 45.84388 4270 45.82554 4271 45.80035 4272 45.76685 4273 45.72857 4274 45.68061 4275 45.58703 4276 45.38672 4277 44.95345 4278 44.04043 4279 42.37501 4280 39.95853 4281 37.58144 4282 49.43220 4283 49.41443 4284 49.39327 4285 49.36419 4286 49.32433 4287 49.27142 4288 49.21115 4289 49.13581 4290 48.98951 4291 48.67927 4292 48.02114 4293 46.68792 4294 44.41345 4295 41.36393 4296 38.55228 4297 53.11517 4298 53.08694 4299 53.05336 4300 53.00732 4301 52.94435 4302 52.86107 ANL-EBS-MD-000033 REV 00 ICN 1 VII-41 July 2000 Line # Value or Contents from NUFT Output File 4303 52.76662 4304 52.64904 4305 52.42227 4306 51.94830 4307 50.97080 4308 49.09311 4309 46.13511 4310 42.47522 4311 39.29050 4312 57.29754 4313 57.24956 4314 57.19266 4315 57.11493 4316 57.00919 4317 56.87017 4318 56.71380 4319 56.52061 4320 56.15252 4321 55.40214 4322 53.92533 4323 51.30754 4324 47.58020 4325 43.34464 4326 39.84859 4327 61.64925 4328 61.56651 4329 61.46892 4330 61.33642 4331 61.15768 4332 60.92522 4333 60.66717 4334 60.35214 4335 59.76324 4336 58.60675 4337 56.47412 4338 53.04166 4339 48.61869 4340 43.93779 4341 40.22268 4342 65.53510 4343 65.39809 4344 65.23786 4345 65.02253 4346 64.73569 4347 64.36868 4348 63.96949 4349 63.49043 4350 62.61806 4351 60.98618 4352 58.19503 4353 54.09737 4354 49.20621 4355 44.26271 4356 40.42720 4357 68.62687 4358 68.42557 4359 68.19323 ANL-EBS-MD-000033 REV 00 ICN 1 VII-42 July 2000 Line # Value or Contents from NUFT Output File 4360 67.88433 4361 67.47844 4362 66.96765 4363 66.42305 4364 65.78035 4365 64.63849 4366 62.59020 4367 59.28581 4368 54.73085 4369 49.54775 4370 44.45011 4371 40.54591 4372 71.49818 4373 71.19914 4374 70.87034 4375 70.43655 4376 69.87359 4377 69.18138 4378 68.46436 4379 67.63634 4380 66.20793 4381 63.75983 4382 60.02549 4383 55.13702 4384 49.76121 4385 44.56732 4386 40.62124 4387 73.24761 4388 72.84965 4389 72.46469 4390 71.93851 4391 71.25467 4392 70.43119 4393 69.59789 4394 68.64946 4395 67.04224 4396 64.35884 4397 60.39013 4398 55.33206 4399 49.86284 4400 44.62342 4401 40.65773 4402 74.44924 4403 73.93363 4404 73.54626 4405 72.94227 4406 72.15575 4407 71.23432 4408 70.31835 4409 69.28642 4410 67.55723 4411 64.71990 4412 60.60482 4413 55.44522 4414 49.92160 4415 44.65604 4416 40.67913 ANL-EBS-MD-000033 REV 00 ICN 1 VII-43 July 2000 Line # Value or Contents from NUFT Output File 4417 75.18710 4418 74.79658 4419 74.48154 4420 73.78421 4421 72.89390 4422 71.88488 4423 70.89907 4424 69.79556 4425 67.96384 4426 65.00018 4427 60.76884 4428 55.53087 4429 49.96602 4430 44.68082 4431 40.69550 4432 75.43049 4433 75.38670 4434 75.23861 4435 74.66180 4436 73.64172 4437 72.54109 4438 71.48134 4439 70.30266 4440 68.36311 4441 65.27030 4442 60.92457 4443 55.61148 4444 50.00780 4445 44.70426 4446 40.71112 4447 75.68062 4448 75.60341 4449 75.47517 4450 75.32875 4451 74.38079 4452 73.19906 4453 72.06392 4454 70.80566 4455 68.75298 4456 65.52920 4457 61.07141 4458 55.68689 4459 50.04692 4460 44.72637 4461 40.72598 4462 75.94250 4463 75.84401 4464 75.71756 4465 75.56795 4466 75.05227 4467 73.85823 4468 72.64600 4469 71.30182 4470 69.13103 4471 65.77538 4472 61.20882 4473 55.75696 ANL-EBS-MD-000033 REV 00 ICN 1 VII-44 July 2000 Line # Value or Contents from NUFT Output File 4474 50.08334 4475 44.74714 4476 40.74007 4477 76.21939 4478 76.10257 4479 75.96743 4480 75.80489 4481 75.62750 4482 74.52760 4483 73.22717 4484 71.78843 4485 69.49444 4486 66.00736 4487 61.33631 4488 55.82154 4489 50.11702 4490 44.76655 4491 40.75341 4492 76.51407 4493 76.37744 4494 76.22621 4495 76.04290 4496 75.83470 4497 75.16055 4498 73.80712 4499 72.26179 4500 69.84048 4501 66.22360 4502 61.45332 4503 55.88050 4504 50.14794 4505 44.78460 4506 40.76599 4507 76.82955 4508 76.66909 4509 76.49544 4510 76.28451 4511 76.03467 4512 75.71710 4513 74.38733 4514 72.71601 4515 70.16584 4516 66.42254 4517 61.55936 4518 55.93371 4519 50.17607 4520 44.80129 4521 40.77780 4522 77.23233 4523 77.03649 4524 76.82887 4525 76.57940 4526 76.28647 4527 75.94878 4528 74.91659 4529 73.21941 4530 70.52263 ANL-EBS-MD-000033 REV 00 ICN 1 VII-45 July 2000 Line # Value or Contents from NUFT Output File 4531 66.63588 4532 61.67142 4533 55.98983 4534 50.20606 4535 44.81944 4536 40.79088 4537 77.68354 4538 77.43796 4539 77.18436 4540 76.88690 4541 76.54719 4542 76.18222 4543 75.45540 4544 73.69603 4545 70.83367 4546 66.81557 4547 61.76400 4548 56.03623 4549 50.23145 4550 44.83536 4551 40.80272 4552 78.10172 4553 77.80080 4554 77.49840 4555 77.15278 4556 76.76658 4557 76.34896 4558 75.92879 4559 74.07911 4560 71.06229 4561 66.94478 4562 61.82967 4563 56.06932 4564 50.25001 4565 44.84742 4566 40.81194 4567 78.62842 4568 78.24289 4569 77.87022 4570 77.46005 4571 77.01557 4572 76.54498 4573 76.10375 4574 74.38743 4575 71.27602 4576 67.06434 4577 61.88966 4578 56.09989 4579 50.26782 4580 44.85953 4581 40.82153 4582 79.17660 4583 78.76659 4584 78.28982 4585 77.79484 4586 77.28070 4587 76.75479 ANL-EBS-MD-000033 REV 00 ICN 1 VII-46 July 2000 Line # Value or Contents from NUFT Output File 4588 76.28929 4589 74.61268 4590 71.44079 4591 67.15448 4592 61.93406 4593 56.12325 4594 50.28258 4595 44.87047 4596 40.83070 4597 79.64908 4598 79.32474 4599 78.82594 4600 78.20808 4601 77.60036 4602 77.00374 4603 76.49923 4604 74.80129 4605 71.56858 4606 67.22025 4607 61.96547 4608 56.14123 4609 50.29587 4610 44.88171 4611 40.84085 4612 80.24737 4613 79.91446 4614 79.51792 4615 78.81506 4616 78.05314 4617 77.34128 4618 76.73231 4619 74.86903 4620 71.55967 4621 67.19694 4622 61.95091 4623 56.14019 4624 50.30372 4625 44.89358 4626 40.85392 4627 80.65426 4628 80.30480 4629 79.88890 4630 79.15640 4631 78.34142 4632 77.61740 4633 76.10967 4634 74.01711 4635 70.97736 4636 66.84751 4637 61.77344 4638 56.06613 4639 50.28115 4640 44.89403 4641 40.86316 4642 80.58582 4643 80.21446 4644 79.76740 ANL-EBS-MD-000033 REV 00 ICN 1 VII-47 July 2000 Line # Value or Contents from NUFT Output File 4645 78.96848 4646 78.07411 4647 76.24023 4648 74.36267 4649 72.55932 4650 69.93371 4651 66.21891 4652 61.45049 4653 55.92170 4654 50.22434 4655 44.87683 4656 40.86169 4657 78.79311 4658 78.35376 4659 77.77838 4660 77.02347 4661 75.76886 4662 74.26908 4663 72.88246 4664 71.40863 4665 69.12381 4666 65.72297 4667 61.18919 4668 55.80113 4669 50.17413 4670 44.85888 4671 40.85675 4672 75.61913 4673 75.09350 4674 73.83899 4675 73.60334 4676 73.68629 4677 72.81812 4678 71.74447 4679 70.50747 4680 68.47816 4681 65.31984 4682 60.97258 4683 55.69933 4684 50.13068 4685 44.84246 4686 40.85132 4687 71.42701 4688 71.38220 4689 71.39352 4690 71.26372 4691 70.99816 4692 70.45191 4693 69.73974 4694 68.85146 4695 67.25387 4696 64.53448 4697 60.54080 4698 55.49260 4699 50.04055 4700 44.80700 4701 40.83827 ANL-EBS-MD-000033 REV 00 ICN 1 VII-48 July 2000 Line # Value or Contents from NUFT Output File 4702 68.55340 4703 68.46102 4704 68.34422 4705 68.16245 4706 67.88304 4707 67.47916 4708 66.99469 4709 66.38669 4710 65.24366 4711 63.12222 4712 59.70641 4713 55.07126 4714 49.84789 4715 44.72552 4716 40.80339 4717 65.02250 4718 64.93016 4719 64.81858 4720 64.66247 4721 64.44617 4722 64.15716 4723 63.82689 4724 63.41698 4725 62.63756 4726 61.10856 4727 58.40363 4728 54.36576 4729 49.50763 4730 44.57283 4731 40.73171 4732 61.01451 4733 60.94993 4734 60.87304 4735 60.76741 4736 60.62451 4737 60.43562 4738 60.22217 4739 59.95755 4740 59.45071 4741 58.42251 4742 56.45968 4743 53.19951 4744 48.90009 4745 44.28140 4746 40.58406 4747 57.42131 4748 57.37850 4749 57.32744 4750 57.25842 4751 57.16401 4752 57.03933 4753 56.89804 4754 56.72215 4755 56.38243 4756 55.67810 4757 54.26780 4758 51.72383 ANL-EBS-MD-000033 REV 00 ICN 1 VII-49 July 2000 Line # Value or Contents from NUFT Output File 4759 48.05307 4760 43.84323 4761 40.34709 4762 54.11683 4763 54.08863 4764 54.05516 4765 54.00955 4766 53.94707 4767 53.86431 4768 53.77011 4769 53.65234 4770 53.42328 4771 52.94035 4772 51.93937 4773 50.01206 4774 46.98319 4775 43.25063 4776 40.00975 4777 50.82355 4778 50.80523 4779 50.78363 4780 50.75392 4781 50.71317 4782 50.65902 4783 50.59713 4784 50.51943 4785 50.36737 4786 50.04245 4787 49.35166 4788 47.95227 4789 45.57427 4790 42.40660 4791 39.50148 4792 47.38630 4793 47.37492 4794 47.36135 4795 47.34269 4796 47.31704 4797 47.28287 4798 47.24366 4799 47.19428 4800 47.09716 4801 46.88740 4802 46.43258 4803 45.47406 4804 43.72838 4805 41.20491 4806 38.73212 4807 43.41768 4808 43.41122 4809 43.40352 4810 43.39291 4811 43.37830 4812 43.35878 4813 43.33630 4814 43.30790 4815 43.25180 ANL-EBS-MD-000033 REV 00 ICN 1 VII-50 July 2000 Line # Value or Contents from NUFT Output File 4816 43.12950 4817 42.86013 4818 42.27434 4819 41.14115 4820 39.35745 4821 37.45967 4822 38.49233 4823 38.48937 4824 38.48584 4825 38.48098 4826 38.47426 4827 38.46524 4828 38.45481 4829 38.44158 4830 38.41530 4831 38.35741 4832 38.22825 4833 37.94077 4834 37.35751 4835 36.36353 4836 35.19908 4837 33.03093 4838 33.02994 4839 33.02876 4840 33.02711 4841 33.02483 4842 33.02174 4843 33.01812 4844 33.01351 4845 33.00424 4846 32.98349 4847 32.93653 4848 32.83051 4849 32.60926 4850 32.21214 4851 31.70957 4852 30.21664 4853 30.21620 4854 30.21566 4855 30.21490 4856 30.21383 4857 30.21235 4858 30.21058 4859 30.20828 4860 30.20354 4861 30.19260 4862 30.16725 4863 30.10961 4864 29.98844 4865 29.76773 4866 29.48159 4867 27.15834 4868 27.15818 4869 27.15799 4870 27.15772 4871 27.15734 4872 27.15682 ANL-EBS-MD-000033 REV 00 ICN 1 VII-51 July 2000 Line # Value or Contents from NUFT Output File 4873 27.15620 4874 27.15540 4875 27.15378 4876 27.15006 4877 27.14139 4878 27.12150 4879 27.07931 4880 27.00130 4881 26.89756 4882 25.61219 4883 25.61215 4884 25.61209 4885 25.61202 4886 25.61190 4887 25.61174 4888 25.61153 4889 25.61124 4890 25.61063 4891 25.60912 4892 25.60533 4893 25.59641 4894 25.57740 4895 25.54212 4896 25.49483 4897 24.74419 4898 24.74416 4899 24.74413 4900 24.74408 4901 24.74401 4902 24.74392 4903 24.74381 4904 24.74367 4905 24.74337 4906 24.74267 4907 24.74097 4908 24.73699 4909 24.72846 4910 24.71256 4911 24.69111 4912 24.03728 4913 24.03728 4914 24.03727 4915 24.03726 4916 24.03724 4917 24.03722 4918 24.03720 4919 24.03716 4920 24.03710 4921 24.03694 4922 24.03654 4923 24.03560 4924 24.03356 4925 24.02975 4926 24.02459 4927 23.99457 4928 23.99456 4929 23.99456 ANL-EBS-MD-000033 REV 00 ICN 1 VII-52 July 2000 Line # Value or Contents from NUFT Output File 4930 23.99455 4931 23.99454 4932 23.99453 4933 23.99451 4934 23.99449 4935 23.99445 4936 23.99436 4937 23.99414 4938 23.99362 4939 23.99251 4940 23.99043 4941 23.98762 4942 24.00243 4943 24.00242 4944 24.00242 4945 24.00241 4946 24.00240 4947 24.00239 4948 24.00238 4949 24.00236 4950 24.00233 4951 24.00226 4952 24.00212 4953 24.00181 4954 24.00116 4955 23.99994 4956 23.99828 4957 24.19081 4958 24.19081 4959 24.19080 4960 24.19079 4961 24.19078 4962 24.19077 4963 24.19075 4964 24.19073 4965 24.19070 4966 24.19065 4967 24.19057 4968 24.19044 4969 24.19020 4970 24.18975 4971 24.18915 4972 24.57363 4973 24.57363 4974 24.57362 4975 24.57360 4976 24.57359 4977 24.57357 4978 24.57355 4979 24.57352 4980 24.57348 4981 24.57342 4982 24.57334 4983 24.57328 4984 24.57320 4985 24.57305 4986 24.57286 ANL-EBS-MD-000033 REV 00 ICN 1 VII-53 July 2000 Line # Value or Contents from NUFT Output File 4987 25.02775 4988 25.02774 4989 25.02773 4990 25.02772 4991 25.02771 4992 25.02769 4993 25.02767 4994 25.02764 4995 25.02760 4996 25.02753 4997 25.02745 4998 25.02740 4999 25.02737 5000 25.02731 5001 25.02725 5002 25.51953 5003 25.51952 5004 25.51952 5005 25.51950 5006 25.51949 5007 25.51947 5008 25.51945 5009 25.51943 5010 25.51939 5011 25.51932 5012 25.51924 5013 25.51919 5014 25.51917 5015 25.51914 5016 25.51911 5017 26.07943 5018 26.07939 5019 26.07934 5020 26.07928 5021 26.07919 5022 26.07909 5023 26.07898 5024 26.07885 5025 26.07863 5026 26.07827 5027 26.07788 5028 26.07785 5029 26.07802 5030 26.07806 5031 26.07805 5032 26.56931 5033 26.56930 5034 26.56929 5035 26.56927 5036 26.56925 5037 26.56922 5038 26.56919 5039 26.56916 5040 26.56910 5041 26.56899 5042 26.56885 5043 26.56877 ANL-EBS-MD-000033 REV 00 ICN 1 VII-54 July 2000 Line # Value or Contents from NUFT Output File 5044 26.56876 5045 26.56874 5046 26.56873 5047 27.49450 5048 27.49450 5049 27.49449 5050 27.49448 5051 27.49447 5052 27.49446 5053 27.49445 5054 27.49444 5055 27.49441 5056 27.49436 5057 27.49428 5058 27.49421 5059 27.49415 5060 27.49411 5061 27.49409 5062 28.39263 5063 28.39261 5064 28.39258 5065 28.39254 5066 28.39249 5067 28.39243 5068 28.39236 5069 28.39227 5070 28.39213 5071 28.39187 5072 28.39152 5073 28.39132 5074 28.39135 5075 28.39138 5076 28.39138 5077 28.84515 5078 28.84514 5079 28.84514 5080 28.84513 5081 28.84512 5082 28.84511 5083 28.84510 5084 28.84508 5085 28.84506 5086 28.84501 5087 28.84493 5088 28.84484 5089 28.84477 5090 28.84473 5091 28.84470 5092 29.83768 5093 29.83768 5094 29.83767 5095 29.83766 5096 29.83766 5097 29.83764 5098 29.83763 5099 29.83761 5100 29.83758 ANL-EBS-MD-000033 REV 00 ICN 1 VII-55 July 2000 Line # Value or Contents from NUFT Output File 5101 29.83753 5102 29.83746 5103 29.83741 5104 29.83738 5105 29.83735 5106 29.83733 5107 31.16647 5108 31.16647 5109 31.16646 5110 31.16645 5111 31.16644 5112 31.16643 5113 31.16642 5114 31.16640 5115 31.16637 5116 31.16631 5117 31.16623 5118 31.16615 5119 31.16611 5120 31.16609 5121 31.16607 5122 31.87360 5123 31.87356 5124 31.87352 5125 31.87346 5126 31.87339 5127 31.87329 5128 31.87318 5129 31.87305 5130 31.87281 5131 31.87239 5132 31.87177 5133 31.87138 5134 31.87158 5135 31.87175 5136 31.87180 5137 32.23134 5138 32.23134 5139 32.23134 5140 32.23134 5141 32.23134 5142 32.23133 5143 32.23133 5144 32.23132 5145 32.23132 5146 32.23130 5147 32.23127 5148 32.23123 5149 32.23121 5150 32.23120 5151 32.23120 5152 32.54400 5153 32.54400 5154 32.54400 5155 32.54400 5156 32.54400 5157 32.54400 ANL-EBS-MD-000033 REV 00 ICN 1 VII-56 July 2000 Line # Value or Contents from NUFT Output File 5158 32.54400 5159 32.54400 5160 32.54400 5161 32.54400 5162 32.54400 5163 32.54400 5164 32.54400 5165 32.54400 5166 32.54400 ANL-EBS-MD-000033 REV 00 ICN 1 VII-57 July 2000 Table VII-3 Output File from ZONEAVG V1.2 (“l4c4-LDTH60-1Dds_mc-ui-01.f.ext.zavg”) Used for Validation Line # Value or Contents 1 zoneavg.sh 1.2 10/15/99 12:06:51 LLNL 2 Parsing file l4c4-LDTH60-1Dds_mc-ui-01.f.ext... 3 num variables 6 4 tsw35_A0.f#1:1:28 Volume: 1.71 5 tsw35_A0.f#2:1:28 Volume: 1.05 6 tsw35_A0.f#3:1:28 Volume: 0.993 7 tsw35_A0.f#4:1:28 Volume: 1.0791 8 tsw35_A0.f#5:1:28 Volume: 1.1391 9 tsw35_A0.f#6:1:28 Volume: 1.26 10 tsw35_A0.f#7:1:28 Volume: 1.0182 11 tsw35_A0.f#8:1:28 Volume: 1.5 12 tsw35_A0.f#9:1:28 Volume: 2.7 13 tsw35_A0.f#10:1:28 Volume: 4.5 14 tsw35_A0.f#11:1:28 Volume: 7.5 15 tsw35_A0.f#12:1:28 Volume: 12 16 tsw35_A0.f#13:1:28 Volume: 18 17 tsw35_A0.f#14:1:28 Volume: 27 18 tsw35_A0.f#15:1:28 Volume: 40.05 19 hstrk_A1.f#1:1:29 Volume: 1.368 20 hstrk_A1.f#2:1:29 Volume: 0.84 21 hstrk_A1.f#3:1:29 Volume: 0.7944 22 hstrk_A1.f#4:1:29 Volume: 0.86328 23 hstrk_A1.f#5:1:29 Volume: 0.91128 24 hstrk_A1.f#6:1:29 Volume: 1.008 25 hstrk_A1.f#7:1:29 Volume: 0.81456 26 hstrk_A1.f#8:1:29 Volume: 1.2 27 hstrk_A1.f#9:1:29 Volume: 2.16 28 hstrk_A1.f#10:1:29 Volume: 3.6 29 hstrk_A1.f#11:1:29 Volume: 6 30 hstrk_A1.f#12:1:29 Volume: 9.6 31 hstrk_A1.f#13:1:29 Volume: 14.4 32 hstrk_A1.f#14:1:29 Volume: 21.6 33 hstrk_A1.f#15:1:29 Volume: 32.04 34 hstrk_A1.f#1:1:30 Volume: 1.14 35 hstrk_A1.f#2:1:30 Volume: 0.7 36 hstrk_A1.f#3:1:30 Volume: 0.662 37 hstrk_A1.f#4:1:30 Volume: 0.7194 38 hstrk_A1.f#5:1:30 Volume: 0.7594 39 hstrk_A1.f#6:1:30 Volume: 0.84 40 hstrk_A1.f#7:1:30 Volume: 0.6788 41 hstrk_A1.f#8:1:30 Volume: 1 42 hstrk_A1.f#9:1:30 Volume: 1.8 43 hstrk_A1.f#10:1:30 Volume: 3 44 hstrk_A1.f#11:1:30 Volume: 5 45 hstrk_A1.f#12:1:30 Volume: 8 46 hstrk_A1.f#13:1:30 Volume: 12 47 hstrk_A1.f#14:1:30 Volume: 18 48 hstrk_A1.f#15:1:30 Volume: 26.7 49 hstrk_A1.f#1:1:31 Volume: 0.57 50 hstrk_A1.f#2:1:31 Volume: 0.35 51 hstrk_A1.f#3:1:31 Volume: 0.331 52 hstrk_A1.f#4:1:31 Volume: 0.3597 53 hstrk_A1.f#5:1:31 Volume: 0.3797 54 hstrk_A1.f#6:1:31 Volume: 0.42 ANL-EBS-MD-000033 REV 00 ICN 1 VII-58 July 2000 Line # Value or Contents 55 hstrk_A1.f#7:1:31 Volume: 0.3394 56 hstrk_A1.f#8:1:31 Volume: 0.5 57 hstrk_A1.f#9:1:31 Volume: 0.9 58 hstrk_A1.f#10:1:31 Volume: 1.5 59 hstrk_A1.f#11:1:31 Volume: 2.5 60 hstrk_A1.f#12:1:31 Volume: 4 61 hstrk_A1.f#13:1:31 Volume: 6 62 hstrk_A1.f#14:1:31 Volume: 9 63 hstrk_A1.f#15:1:31 Volume: 13.35 64 hstrk_A1.f#1:1:32 Volume: 0.57 65 hstrk_A1.f#2:1:32 Volume: 0.35 66 hstrk_A1.f#3:1:32 Volume: 0.331 67 hstrk_A1.f#4:1:32 Volume: 0.3597 68 hstrk_A1.f#5:1:32 Volume: 0.3797 69 hstrk_A1.f#6:1:32 Volume: 0.42 70 hstrk_A1.f#7:1:32 Volume: 0.3394 71 hstrk_A1.f#8:1:32 Volume: 0.5 72 hstrk_A1.f#9:1:32 Volume: 0.9 73 hstrk_A1.f#10:1:32 Volume: 1.5 74 hstrk_A1.f#11:1:32 Volume: 2.5 75 hstrk_A1.f#12:1:32 Volume: 4 76 hstrk_A1.f#13:1:32 Volume: 6 77 hstrk_A1.f#14:1:32 Volume: 9 78 hstrk_A1.f#15:1:32 Volume: 13.35 79 hstrk_A1.f#1:1:33 Volume: 0.285 80 hstrk_A1.f#2:1:33 Volume: 0.175 81 hstrk_A1.f#3:1:33 Volume: 0.1655 82 hstrk_A1.f#4:1:33 Volume: 0.17985 83 hstrk_A1.f#5:1:33 Volume: 0.18985 84 hstrk_A1.f#6:1:33 Volume: 0.21 85 hstrk_A1.f#7:1:33 Volume: 0.1697 86 hstrk_A1.f#8:1:33 Volume: 0.25 87 hstrk_A1.f#9:1:33 Volume: 0.45 88 hstrk_A1.f#10:1:33 Volume: 0.75 89 hstrk_A1.f#11:1:33 Volume: 1.25 90 hstrk_A1.f#12:1:33 Volume: 2 91 hstrk_A1.f#13:1:33 Volume: 3 92 hstrk_A1.f#14:1:33 Volume: 4.5 93 hstrk_A1.f#15:1:33 Volume: 6.675 94 hstrk_A1.f#1:1:34 Volume: 0.171 95 hstrk_A1.f#2:1:34 Volume: 0.105 96 hstrk_A1.f#3:1:34 Volume: 0.0993 97 hstrk_A1.f#4:1:34 Volume: 0.10791 98 hstrk_A1.f#5:1:34 Volume: 0.11391 99 hstrk_A1.f#6:1:34 Volume: 0.126 100 hstrk_A1.f#7:1:34 Volume: 0.10182 101 hstrk_A1.f#8:1:34 Volume: 0.15 102 hstrk_A1.f#9:1:34 Volume: 0.27 103 hstrk_A1.f#10:1:34 Volume: 0.45 104 hstrk_A1.f#11:1:34 Volume: 0.75 105 hstrk_A1.f#12:1:34 Volume: 1.2 106 hstrk_A1.f#13:1:34 Volume: 1.8 107 hstrk_A1.f#14:1:34 Volume: 2.7 108 hstrk_A1.f#15:1:34 Volume: 4.005 109 hstrk_A1.f#2:1:35 Volume: 0.07 110 hstrk_A1.f#3:1:35 Volume: 0.0662 111 hstrk_A1.f#4:1:35 Volume: 0.07194 ANL-EBS-MD-000033 REV 00 ICN 1 VII-59 July 2000 Line # Value or Contents 112 hstrk_A1.f#5:1:35 Volume: 0.07594 113 hstrk_A1.f#6:1:35 Volume: 0.084 114 hstrk_A1.f#7:1:35 Volume: 0.06788 115 hstrk_A1.f#8:1:35 Volume: 0.1 116 hstrk_A1.f#9:1:35 Volume: 0.18 117 hstrk_A1.f#10:1:35 Volume: 0.3 118 hstrk_A1.f#11:1:35 Volume: 0.5 119 hstrk_A1.f#12:1:35 Volume: 0.8 120 hstrk_A1.f#13:1:35 Volume: 1.2 121 hstrk_A1.f#14:1:35 Volume: 1.8 122 hstrk_A1.f#15:1:35 Volume: 2.67 123 hstrk_A1.f#4:1:36 Volume: 0.07194 124 hstrk_A1.f#5:1:36 Volume: 0.07594 125 hstrk_A1.f#6:1:36 Volume: 0.084 126 hstrk_A1.f#7:1:36 Volume: 0.06788 127 hstrk_A1.f#8:1:36 Volume: 0.1 128 hstrk_A1.f#9:1:36 Volume: 0.18 129 hstrk_A1.f#10:1:36 Volume: 0.3 130 hstrk_A1.f#11:1:36 Volume: 0.5 131 hstrk_A1.f#12:1:36 Volume: 0.8 132 hstrk_A1.f#13:1:36 Volume: 1.2 133 hstrk_A1.f#14:1:36 Volume: 1.8 134 hstrk_A1.f#15:1:36 Volume: 2.67 135 hstrk_A1.f#5:1:37 Volume: 0.07594 136 hstrk_A1.f#6:1:37 Volume: 0.084 137 hstrk_A1.f#7:1:37 Volume: 0.06788 138 hstrk_A1.f#8:1:37 Volume: 0.1 139 hstrk_A1.f#9:1:37 Volume: 0.18 140 hstrk_A1.f#10:1:37 Volume: 0.3 141 hstrk_A1.f#11:1:37 Volume: 0.5 142 hstrk_A1.f#12:1:37 Volume: 0.8 143 hstrk_A1.f#13:1:37 Volume: 1.2 144 hstrk_A1.f#14:1:37 Volume: 1.8 145 hstrk_A1.f#15:1:37 Volume: 2.67 146 hstrk_A1.f#6:1:38 Volume: 0.084 147 hstrk_A1.f#7:1:38 Volume: 0.06788 148 hstrk_A1.f#8:1:38 Volume: 0.1 149 hstrk_A1.f#9:1:38 Volume: 0.18 150 hstrk_A1.f#10:1:38 Volume: 0.3 151 hstrk_A1.f#11:1:38 Volume: 0.5 152 hstrk_A1.f#12:1:38 Volume: 0.8 153 hstrk_A1.f#13:1:38 Volume: 1.2 154 hstrk_A1.f#14:1:38 Volume: 1.8 155 hstrk_A1.f#15:1:38 Volume: 2.67 156 hstrk_A1.f#6:1:39 Volume: 0.084 157 hstrk_A1.f#7:1:39 Volume: 0.06788 158 hstrk_A1.f#8:1:39 Volume: 0.1 159 hstrk_A1.f#9:1:39 Volume: 0.18 160 hstrk_A1.f#10:1:39 Volume: 0.3 161 hstrk_A1.f#11:1:39 Volume: 0.5 162 hstrk_A1.f#12:1:39 Volume: 0.8 163 hstrk_A1.f#13:1:39 Volume: 1.2 164 hstrk_A1.f#14:1:39 Volume: 1.8 165 hstrk_A1.f#15:1:39 Volume: 2.67 166 hstrk_A1.f#7:1:40 Volume: 0.06788 167 hstrk_A1.f#8:1:40 Volume: 0.1 168 hstrk_A1.f#9:1:40 Volume: 0.18 ANL-EBS-MD-000033 REV 00 ICN 1 VII-60 July 2000 Line # Value or Contents 169 hstrk_A1.f#10:1:40 Volume: 0.3 170 hstrk_A1.f#11:1:40 Volume: 0.5 171 hstrk_A1.f#12:1:40 Volume: 0.8 172 hstrk_A1.f#13:1:40 Volume: 1.2 173 hstrk_A1.f#14:1:40 Volume: 1.8 174 hstrk_A1.f#15:1:40 Volume: 2.67 175 hstrk_A1.f#7:1:41 Volume: 0.06788 176 hstrk_A1.f#8:1:41 Volume: 0.1 177 hstrk_A1.f#9:1:41 Volume: 0.18 178 hstrk_A1.f#10:1:41 Volume: 0.3 179 hstrk_A1.f#11:1:41 Volume: 0.5 180 hstrk_A1.f#12:1:41 Volume: 0.8 181 hstrk_A1.f#13:1:41 Volume: 1.2 182 hstrk_A1.f#14:1:41 Volume: 1.8 183 hstrk_A1.f#15:1:41 Volume: 2.67 184 hstrk_A1.f#8:1:42 Volume: 0.1 185 hstrk_A1.f#9:1:42 Volume: 0.18 186 hstrk_A1.f#10:1:42 Volume: 0.3 187 hstrk_A1.f#11:1:42 Volume: 0.5 188 hstrk_A1.f#12:1:42 Volume: 0.8 189 hstrk_A1.f#13:1:42 Volume: 1.2 190 hstrk_A1.f#14:1:42 Volume: 1.8 191 hstrk_A1.f#15:1:42 Volume: 2.67 192 hstrk_A1.f#8:1:43 Volume: 0.137 193 hstrk_A1.f#9:1:43 Volume: 0.2466 194 hstrk_A1.f#10:1:43 Volume: 0.411 195 hstrk_A1.f#11:1:43 Volume: 0.685 196 hstrk_A1.f#12:1:43 Volume: 1.096 197 hstrk_A1.f#13:1:43 Volume: 1.644 198 hstrk_A1.f#14:1:43 Volume: 2.466 199 hstrk_A1.f#15:1:43 Volume: 3.6579 200 hstrk_A1.f#8:1:44 Volume: 0.1 201 hstrk_A1.f#9:1:44 Volume: 0.18 202 hstrk_A1.f#10:1:44 Volume: 0.3 203 hstrk_A1.f#11:1:44 Volume: 0.5 204 hstrk_A1.f#12:1:44 Volume: 0.8 205 hstrk_A1.f#13:1:44 Volume: 1.2 206 hstrk_A1.f#14:1:44 Volume: 1.8 207 hstrk_A1.f#15:1:44 Volume: 2.67 208 hstrk_A1.f#9:1:45 Volume: 0.18 209 hstrk_A1.f#10:1:45 Volume: 0.3 210 hstrk_A1.f#11:1:45 Volume: 0.5 211 hstrk_A1.f#12:1:45 Volume: 0.8 212 hstrk_A1.f#13:1:45 Volume: 1.2 213 hstrk_A1.f#14:1:45 Volume: 1.8 214 hstrk_A1.f#15:1:45 Volume: 2.67 215 hstrk_A1.f#9:1:46 Volume: 0.2286 216 hstrk_A1.f#10:1:46 Volume: 0.381 217 hstrk_A1.f#11:1:46 Volume: 0.635 218 hstrk_A1.f#12:1:46 Volume: 1.016 219 hstrk_A1.f#13:1:46 Volume: 1.524 220 hstrk_A1.f#14:1:46 Volume: 2.286 221 hstrk_A1.f#15:1:46 Volume: 3.3909 222 hstrk_A1.f#9:1:47 Volume: 0.2133 223 hstrk_A1.f#10:1:47 Volume: 0.3555 224 hstrk_A1.f#11:1:47 Volume: 0.5925 225 hstrk_A1.f#12:1:47 Volume: 0.948 ANL-EBS-MD-000033 REV 00 ICN 1 VII-61 July 2000 Line # Value or Contents 226 hstrk_A1.f#13:1:47 Volume: 1.422 227 hstrk_A1.f#14:1:47 Volume: 2.133 228 hstrk_A1.f#15:1:47 Volume: 3.16395 229 hstrk_A1.f#9:1:48 Volume: 0.3438 230 hstrk_A1.f#10:1:48 Volume: 0.573 231 hstrk_A1.f#11:1:48 Volume: 0.955 232 hstrk_A1.f#12:1:48 Volume: 1.528 233 hstrk_A1.f#13:1:48 Volume: 2.292 234 hstrk_A1.f#14:1:48 Volume: 3.438 235 hstrk_A1.f#15:1:48 Volume: 5.0997 236 hstrk_A1.f#9:1:49 Volume: 0.5823 237 hstrk_A1.f#10:1:49 Volume: 0.9705 238 hstrk_A1.f#11:1:49 Volume: 1.6175 239 hstrk_A1.f#12:1:49 Volume: 2.588 240 hstrk_A1.f#13:1:49 Volume: 3.882 241 hstrk_A1.f#14:1:49 Volume: 5.823 242 hstrk_A1.f#15:1:49 Volume: 8.63745 243 hstrk_A1.f#7:1:50 Volume: 0.2667684 244 hstrk_A1.f#8:1:50 Volume: 0.393 245 hstrk_A1.f#9:1:50 Volume: 0.7074 246 hstrk_A1.f#10:1:50 Volume: 1.179 247 hstrk_A1.f#11:1:50 Volume: 1.965 248 hstrk_A1.f#12:1:50 Volume: 3.144 249 hstrk_A1.f#13:1:50 Volume: 4.716 250 hstrk_A1.f#14:1:50 Volume: 7.074 251 hstrk_A1.f#15:1:50 Volume: 10.4931 252 hstrk_A1.f#6:1:51 Volume: 0.21588 253 hstrk_A1.f#7:1:51 Volume: 0.1744516 254 hstrk_A1.f#8:1:51 Volume: 0.257 255 hstrk_A1.f#9:1:51 Volume: 0.4626 256 hstrk_A1.f#10:1:51 Volume: 0.771 257 hstrk_A1.f#11:1:51 Volume: 1.285 258 hstrk_A1.f#12:1:51 Volume: 2.056 259 hstrk_A1.f#13:1:51 Volume: 3.084 260 hstrk_A1.f#14:1:51 Volume: 4.626 261 hstrk_A1.f#15:1:51 Volume: 6.8619 262 hstrk_A1.f#5:1:52 Volume: 0.1150491 263 hstrk_A1.f#6:1:52 Volume: 0.12726 264 hstrk_A1.f#7:1:52 Volume: 0.1028382 265 hstrk_A1.f#8:1:52 Volume: 0.1515 266 hstrk_A1.f#9:1:52 Volume: 0.2727 267 hstrk_A1.f#10:1:52 Volume: 0.4545 268 hstrk_A1.f#11:1:52 Volume: 0.7575 269 hstrk_A1.f#12:1:52 Volume: 1.212 270 hstrk_A1.f#13:1:52 Volume: 1.818 271 hstrk_A1.f#14:1:52 Volume: 2.727 272 hstrk_A1.f#15:1:52 Volume: 4.04505 273 hstrk_A1.f#3:1:53 Volume: 0.100293 274 hstrk_A1.f#4:1:53 Volume: 0.1089891 275 hstrk_A1.f#5:1:53 Volume: 0.1150491 276 hstrk_A1.f#6:1:53 Volume: 0.12726 277 hstrk_A1.f#7:1:53 Volume: 0.1028382 278 hstrk_A1.f#8:1:53 Volume: 0.1515 279 hstrk_A1.f#9:1:53 Volume: 0.2727 280 hstrk_A1.f#10:1:53 Volume: 0.4545 281 hstrk_A1.f#11:1:53 Volume: 0.7575 282 hstrk_A1.f#12:1:53 Volume: 1.212 ANL-EBS-MD-000033 REV 00 ICN 1 VII-62 July 2000 Line # Value or Contents 283 hstrk_A1.f#13:1:53 Volume: 1.818 284 hstrk_A1.f#14:1:53 Volume: 2.727 285 hstrk_A1.f#15:1:53 Volume: 4.04505 286 hstrk_A1.f#1:1:54 Volume: 0.456 287 hstrk_A1.f#2:1:54 Volume: 0.28 288 hstrk_A1.f#3:1:54 Volume: 0.2648 289 hstrk_A1.f#4:1:54 Volume: 0.28776 290 hstrk_A1.f#5:1:54 Volume: 0.30376 291 hstrk_A1.f#6:1:54 Volume: 0.336 292 hstrk_A1.f#7:1:54 Volume: 0.27152 293 hstrk_A1.f#8:1:54 Volume: 0.4 294 hstrk_A1.f#9:1:54 Volume: 0.72 295 hstrk_A1.f#10:1:54 Volume: 1.2 296 hstrk_A1.f#11:1:54 Volume: 2 297 hstrk_A1.f#12:1:54 Volume: 3.2 298 hstrk_A1.f#13:1:54 Volume: 4.8 299 hstrk_A1.f#14:1:54 Volume: 7.2 300 hstrk_A1.f#15:1:54 Volume: 10.68 301 hstrk_A1.f#1:1:55 Volume: 0.57 302 hstrk_A1.f#2:1:55 Volume: 0.35 303 hstrk_A1.f#3:1:55 Volume: 0.331 304 hstrk_A1.f#4:1:55 Volume: 0.3597 305 hstrk_A1.f#5:1:55 Volume: 0.3797 306 hstrk_A1.f#6:1:55 Volume: 0.42 307 hstrk_A1.f#7:1:55 Volume: 0.3394 308 hstrk_A1.f#8:1:55 Volume: 0.5 309 hstrk_A1.f#9:1:55 Volume: 0.9 310 hstrk_A1.f#10:1:55 Volume: 1.5 311 hstrk_A1.f#11:1:55 Volume: 2.5 312 hstrk_A1.f#12:1:55 Volume: 4 313 hstrk_A1.f#13:1:55 Volume: 6 314 hstrk_A1.f#14:1:55 Volume: 9 315 hstrk_A1.f#15:1:55 Volume: 13.35 316 hstrk_A1.f#1:1:56 Volume: 0.855 317 hstrk_A1.f#2:1:56 Volume: 0.525 318 hstrk_A1.f#3:1:56 Volume: 0.4965 319 hstrk_A1.f#4:1:56 Volume: 0.53955 320 hstrk_A1.f#5:1:56 Volume: 0.56955 321 hstrk_A1.f#6:1:56 Volume: 0.63 322 hstrk_A1.f#7:1:56 Volume: 0.5091 323 hstrk_A1.f#8:1:56 Volume: 0.75 324 hstrk_A1.f#9:1:56 Volume: 1.35 325 hstrk_A1.f#10:1:56 Volume: 2.25 326 hstrk_A1.f#11:1:56 Volume: 3.75 327 hstrk_A1.f#12:1:56 Volume: 6 328 hstrk_A1.f#13:1:56 Volume: 9 329 hstrk_A1.f#14:1:56 Volume: 13.5 330 hstrk_A1.f#15:1:56 Volume: 20.025 331 hstrk_A2.f#1:1:35 Volume: 0.114 332 hstrk_A2.f#2:1:36 Volume: 0.07 333 hstrk_A2.f#3:1:36 Volume: 0.0662 334 hstrk_A2.f#4:1:37 Volume: 0.07194 335 hstrk_A2.f#5:1:38 Volume: 0.07594 336 hstrk_A2.f#5:1:39 Volume: 0.07594 337 hstrk_A2.f#6:1:40 Volume: 0.084 338 hstrk_A2.f#6:1:41 Volume: 0.084 339 hstrk_A2.f#7:1:42 Volume: 0.06788 ANL-EBS-MD-000033 REV 00 ICN 1 VII-63 July 2000 Line # Value or Contents 340 hstrk_A2.f#7:1:43 Volume: 0.0929956 341 hstrk_A2.f#7:1:44 Volume: 0.06788 342 hstrk_A2.f#8:1:45 Volume: 0.1 343 hstrk_A2.f#8:1:46 Volume: 0.127 344 hstrk_A2.f#8:1:47 Volume: 0.1185 345 hstrk_A2.f#8:1:48 Volume: 0.191 346 hstrk_A2.f#8:1:49 Volume: 0.3235 347 dr_A3.f#1:1:36 Volume: 0.114 348 dr_A3.f#1:1:37 Volume: 0.114 349 dr_A3.f#2:1:37 Volume: 0.07 350 dr_A3.f#3:1:37 Volume: 0.0662 351 dr_A3.f#1:1:38 Volume: 0.114 352 dr_A3.f#2:1:38 Volume: 0.07 353 dr_A3.f#3:1:38 Volume: 0.0662 354 dr_A3.f#4:1:38 Volume: 0.07194 355 bf_A3.f#1:1:39 Volume: 0.114 356 dr_A3.f#2:1:39 Volume: 0.07 357 dr_A3.f#3:1:39 Volume: 0.0662 358 dr_A3.f#4:1:39 Volume: 0.07194 359 bf_A3.f#1:1:40 Volume: 0.114 360 bf_A3.f#2:1:40 Volume: 0.07 361 dr_A3.f#3:1:40 Volume: 0.0662 362 dr_A3.f#4:1:40 Volume: 0.07194 363 dr_A3.f#5:1:40 Volume: 0.07594 364 bf_A3.f#1:1:41 Volume: 0.114 365 bf_A3.f#2:1:41 Volume: 0.07 366 bf_A3.f#3:1:41 Volume: 0.0662 367 dr_A3.f#4:1:41 Volume: 0.07194 368 dr_A3.f#5:1:41 Volume: 0.07594 369 bf_A3.f#1:1:42 Volume: 0.114 370 bf_A3.f#2:1:42 Volume: 0.07 371 bf_A3.f#3:1:42 Volume: 0.0662 372 bf_A3.f#4:1:42 Volume: 0.07194 373 dr_A3.f#5:1:42 Volume: 0.07594 374 dr_A3.f#6:1:42 Volume: 0.084 375 bf_A3.f#1:1:43 Volume: 0.15618 376 bf_A3.f#2:1:43 Volume: 0.0959 377 bf_A3.f#3:1:43 Volume: 0.090694 378 bf_A3.f#4:1:43 Volume: 0.0985578 379 bf_A3.f#5:1:43 Volume: 0.1040378 380 dr_A3.f#6:1:43 Volume: 0.11508 381 bf_A3.f#1:1:44 Volume: 0.114 382 bf_A3.f#2:1:44 Volume: 0.07 383 bf_A3.f#3:1:44 Volume: 0.0662 384 bf_A3.f#4:1:44 Volume: 0.07194 385 bf_A3.f#5:1:44 Volume: 0.07594 386 bf_A3.f#6:1:44 Volume: 0.084 387 bf_A3.f#1:1:45 Volume: 0.114 388 bf_A3.f#2:1:45 Volume: 0.07 389 bf_A3.f#3:1:45 Volume: 0.0662 390 bf_A3.f#4:1:45 Volume: 0.07194 391 bf_A3.f#5:1:45 Volume: 0.07594 392 bf_A3.f#6:1:45 Volume: 0.084 393 bf_A3.f#7:1:45 Volume: 0.06788 394 bf_A3.f#2:1:46 Volume: 0.0889 395 bf_A3.f#3:1:46 Volume: 0.084074 396 bf_A3.f#4:1:46 Volume: 0.0913638 ANL-EBS-MD-000033 REV 00 ICN 1 VII-64 July 2000 Line # Value or Contents 397 bf_A3.f#5:1:46 Volume: 0.0964438 398 bf_A3.f#6:1:46 Volume: 0.10668 399 bf_A3.f#7:1:46 Volume: 0.0862076 400 bf_A3.f#3:1:47 Volume: 0.078447 401 bf_A3.f#4:1:47 Volume: 0.0852489 402 bf_A3.f#5:1:47 Volume: 0.0899889 403 bf_A3.f#6:1:47 Volume: 0.09954 404 bf_A3.f#7:1:47 Volume: 0.0804378 405 bf_A3.f#4:1:48 Volume: 0.1374054 406 bf_A3.f#5:1:48 Volume: 0.1450454 407 bf_A3.f#6:1:48 Volume: 0.16044 408 bf_A3.f#7:1:48 Volume: 0.1296508 409 bf_A3.f#5:1:49 Volume: 0.2456659 410 bf_A3.f#6:1:49 Volume: 0.27174 411 bf_A3.f#7:1:49 Volume: 0.2195918 412 dr_A4.f#1:1:46 Volume: 0.14478 413 dr_A4.f#2:1:47 Volume: 0.08295 414 dr_A4.f#3:1:48 Volume: 0.126442 415 dr_A4.f#4:1:49 Volume: 0.2327259 416 dr_A5.f#4:1:50 Volume: 0.2827242 417 dr_A5.f#5:1:50 Volume: 0.2984442 418 dr_A5.f#6:1:50 Volume: 0.33012 419 dr_A5.f#4:1:51 Volume: 0.1848858 420 dr_A5.f#5:1:51 Volume: 0.1951658 421 in_A6.f#1:1:52 Volume: 0.17271 422 in_A6.f#2:1:52 Volume: 0.10605 423 in_A6.f#3:1:52 Volume: 0.100293 424 in_A6.f#4:1:52 Volume: 0.1089891 425 in_A6.f#1:1:53 Volume: 0.17271 426 in_A6.f#2:1:53 Volume: 0.10605 Break Zone-Averaged Values 1108 Variable: S.liquid 1109 Zone A0 A1 A2 A3 A4 A5 A6 1110 Time 1111 0 1.58E+09 2.82E-02 2.77E-02 5.22E-02 0.00E+00 0.00E+00 0.00E+00 0.00E+00 1112 1 3.16E+09 2.60E-02 2.41E-02 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 1113 2 6.31E+09 2.53E-02 2.37E-02 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 1114 3 9.47E+09 2.50E-02 2.37E-02 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 1115 4 1.26E+10 2.49E-02 2.38E-02 8.10E-04 0.00E+00 0.00E+00 0.00E+00 0.00E+00 1116 5 1.58E+10 2.48E-02 2.39E-02 2.50E-03 9.72E-04 0.00E+00 0.00E+00 0.00E+00 1117 6 2.21E+10 2.88E-02 2.81E-02 9.72E-03 4.61E-02 0.00E+00 0.00E+00 0.00E+00 1118 7 3.16E+10 2.89E-02 2.85E-02 1.72E-02 9.92E-02 0.00E+00 1.37E-02 0.00E+00 1119 8 4.73E+10 2.91E-02 2.89E-02 1.69E-02 1.38E-01 1.57E-01 2.76E-01 1.32E-01 1120 9 6.31E+10 2.95E-02 2.92E-02 1.62E-02 1.38E-01 1.60E-01 2.79E-01 1.35E-01 1121 10 7.89E+10 3.47E-02 3.43E-02 1.76E-02 1.48E-01 1.73E-01 2.93E-01 1.43E-01 1122 11 9.47E+10 3.55E-02 3.51E-02 1.78E-02 1.49E-01 1.76E-01 2.97E-01 1.44E-01 1123 12 1.26E+11 3.67E-02 3.63E-02 1.82E-02 1.52E-01 1.80E-01 3.02E-01 1.46E-01 1124 13 1.58E+11 3.77E-02 3.73E-02 1.85E-02 1.54E-01 1.83E-01 3.05E-01 1.47E-01 1125 14 2.21E+11 3.91E-02 3.87E-02 1.90E-02 1.57E-01 1.87E-01 3.10E-01 1.49E-01 1126 15 3.16E+11 4.03E-02 4.00E-02 1.95E-02 1.61E-01 1.91E-01 3.15E-01 1.51E-01 1127 16 3.16E+13 4.54E-02 4.52E-02 2.18E-02 1.74E-01 2.09E-01 3.34E-01 1.59E-01 1128 1129 Variable: X.air.gas 1130 Zone A0 A1 A2 A3 A4 A5 A6 1131 Time 1132 0 1.58E+09 9.29E-01 9.08E-01 6.80E-01 6.78E-01 6.78E-01 6.78E-01 6.83E-01 1133 1 3.16E+09 6.65E-01 5.32E-01 4.92E-02 4.99E-02 5.48E-02 6.96E-02 8.77E-02 ANL-EBS-MD-000033 REV 00 ICN 1 VII-65 July 2000 Line # Value or Contents 1134 2 6.31E+09 5.19E-01 4.06E-01 2.95E-02 3.00E-02 3.37E-02 4.57E-02 6.11E-02 1135 3 9.47E+09 4.55E-01 3.52E-01 1.83E-02 1.88E-02 2.13E-02 2.94E-02 4.05E-02 1136 4 1.26E+10 4.09E-01 3.12E-01 1.11E-02 1.15E-02 1.33E-02 1.93E-02 2.75E-02 1137 5 1.58E+10 3.79E-01 2.87E-01 7.16E-03 7.23E-03 8.65E-03 1.33E-02 1.96E-02 1138 6 2.21E+10 3.65E-01 2.79E-01 1.68E-03 1.54E-03 2.03E-03 4.43E-03 8.41E-03 1139 7 3.16E+10 4.14E-01 3.40E-01 4.62E-03 2.30E-03 2.27E-03 6.34E-03 1.55E-02 1140 8 4.73E+10 5.20E-01 4.68E-01 2.60E-01 1.88E-01 1.37E-01 1.43E-01 1.05E-01 1141 9 6.31E+10 6.16E-01 5.79E-01 4.62E-01 4.04E-01 3.35E-01 3.55E-01 3.27E-01 1142 10 7.89E+10 7.30E-01 7.03E-01 6.37E-01 5.95E-01 5.32E-01 5.55E-01 5.35E-01 1143 11 9.47E+10 8.00E-01 7.80E-01 7.38E-01 7.07E-01 6.56E-01 6.76E-01 6.62E-01 1144 12 1.26E+11 8.72E-01 8.61E-01 8.37E-01 8.19E-01 7.84E-01 7.98E-01 7.90E-01 1145 13 1.58E+11 9.07E-01 9.00E-01 8.84E-01 8.71E-01 8.45E-01 8.56E-01 8.51E-01 1146 14 2.21E+11 9.38E-01 9.33E-01 9.24E-01 9.16E-01 9.00E-01 9.08E-01 9.04E-01 1147 15 3.16E+11 9.56E-01 9.53E-01 9.48E-01 9.43E-01 9.33E-01 9.38E-01 9.36E-01 1148 16 3.16E+13 9.86E-01 9.86E-01 9.86E-01 9.86E-01 9.85E-01 9.86E-01 9.85E-01 1149 1150 Variable: T 1151 Zone A0 A1 A2 A3 A4 A5 A6 1152 Time 1153 0 1.58E+09 4.46E+01 4.82E+01 7.47E+01 7.67E+01 7.88E+01 7.84E+01 7.71E+01 1154 1 3.16E+09 7.36E+01 8.08E+01 1.22E+02 1.57E+02 2.23E+02 1.93E+02 2.08E+02 1155 2 6.31E+09 8.20E+01 8.65E+01 1.08E+02 1.29E+02 1.69E+02 1.51E+02 1.60E+02 1156 3 9.47E+09 8.46E+01 8.83E+01 1.04E+02 1.20E+02 1.51E+02 1.38E+02 1.45E+02 1157 4 1.26E+10 8.63E+01 8.94E+01 1.01E+02 1.15E+02 1.42E+02 1.30E+02 1.36E+02 1158 5 1.58E+10 8.73E+01 9.00E+01 9.96E+01 1.11E+02 1.35E+02 1.25E+02 1.30E+02 1159 6 2.21E+10 8.78E+01 9.01E+01 9.64E+01 9.98E+01 1.18E+02 1.12E+02 1.16E+02 1160 7 3.16E+10 8.63E+01 8.84E+01 9.60E+01 9.60E+01 9.97E+01 9.91E+01 1.02E+02 1161 8 4.73E+10 8.25E+01 8.44E+01 9.08E+01 9.24E+01 9.35E+01 9.34E+01 9.42E+01 1162 9 6.31E+10 7.82E+01 7.99E+01 8.48E+01 8.68E+01 8.88E+01 8.82E+01 8.91E+01 1163 10 7.89E+10 7.12E+01 7.31E+01 7.71E+01 7.93E+01 8.21E+01 8.12E+01 8.20E+01 1164 11 9.47E+10 6.53E+01 6.71E+01 7.07E+01 7.28E+01 7.61E+01 7.49E+01 7.57E+01 1165 12 1.26E+11 5.63E+01 5.80E+01 6.12E+01 6.33E+01 6.69E+01 6.54E+01 6.62E+01 1166 13 1.58E+11 5.02E+01 5.17E+01 5.46E+01 5.66E+01 6.02E+01 5.87E+01 5.95E+01 1167 14 2.21E+11 4.27E+01 4.40E+01 4.64E+01 4.83E+01 5.16E+01 5.02E+01 5.09E+01 1168 15 3.16E+11 3.66E+01 3.76E+01 3.96E+01 4.12E+01 4.41E+01 4.28E+01 4.34E+01 1169 16 3.16E+13 1.76E+01 1.77E+01 1.77E+01 1.78E+01 1.79E+01 1.79E+01 1.79E+01 1170 1171 Variable: QPhChg.water.gas 1172 Zone A0 A1 A2 A3 A4 A5 A6 1173 Time 1174 0 1.58E+09 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 1175 1 3.16E+09 -4.95E-08 -8.24E-08 3.83E-13 5.13E-14 -1.39E-14 6.99E-14 1.08E-13 1176 2 6.31E+09 -2.55E-08 -4.70E-08 5.68E-12 1.32E-11 -4.12E-14 1.73E-11 -5.54E-12 1177 3 9.47E+09 -1.65E-08 -3.29E-08 5.49E-11 1.28E-13 -2.35E-14 1.78E-13 -2.22E-13 1178 4 1.26E+10 -1.33E-08 -3.27E-08 4.95E-08 5.96E-09 7.74E-13 3.24E-11 1.69E-11 1179 5 1.58E+10 -7.37E-09 -2.49E-08 2.67E-08 2.37E-08 7.68E-16 1.68E-14 1.22E-14 1180 6 2.21E+10 4.45E-10 -1.73E-08 3.19E-08 6.58E-08 -1.62E-14 3.36E-14 9.99E-14 1181 7 3.16E+10 9.54E-09 -3.35E-09 -7.46E-08 5.73E-08 6.10E-07 1.37E-07 2.18E-13 1182 8 4.73E+10 1.27E-08 4.03E-09 -1.09E-07 -3.31E-09 5.97E-07 1.88E-07 3.14E-07 1183 9 6.31E+10 1.22E-08 4.21E-09 -3.64E-08 -3.35E-09 3.99E-07 1.27E-07 1.81E-07 1184 10 7.89E+10 1.03E-08 3.67E-09 -1.47E-08 -3.06E-09 2.68E-07 8.47E-08 1.22E-07 1185 11 9.47E+10 8.86E-09 3.19E-09 -8.02E-09 -2.54E-09 1.91E-07 6.07E-08 8.90E-08 1186 12 1.26E+11 7.44E-09 2.56E-09 -3.63E-09 -1.53E-09 1.15E-07 3.75E-08 5.81E-08 1187 13 1.58E+11 5.69E-09 2.09E-09 -2.31E-09 -1.26E-09 8.13E-08 2.62E-08 4.06E-08 1188 14 2.21E+11 4.50E-09 1.59E-09 -1.20E-09 -8.63E-10 4.94E-08 1.51E-08 2.78E-08 1189 15 3.16E+11 3.31E-09 1.24E-09 -6.69E-10 -4.47E-10 2.87E-08 9.21E-09 1.59E-08 1190 16 3.16E+13 1.22E-09 4.24E-10 1.94E-13 -7.54E-13 2.41E-10 7.34E-11 1.02E-10 ANL-EBS-MD-000033 REV 00 ICN 1 VII-66 July 2000 Line # Value or Contents 1191 1192 Variable: qPhChg.water.gas 1193 Zone A0 A1 A2 A3 A4 A5 A6 1194 Time 1195 0 1.58E+09 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 1196 1 3.16E+09 -1.40E-08 9.14E-10 2.26E-12 2.80E-13 -5.73E-14 2.38E-13 7.80E-13 1197 2 6.31E+09 -7.99E-09 3.50E-09 5.19E-11 6.96E-11 -2.42E-13 6.07E-11 -4.44E-11 1198 3 9.47E+09 -5.78E-09 3.03E-09 7.66E-10 7.21E-13 -1.36E-13 6.27E-13 -1.17E-12 1199 4 1.26E+10 -4.96E-09 1.27E-09 5.12E-07 5.22E-08 3.36E-12 1.16E-10 1.42E-10 1200 5 1.58E+10 -3.98E-09 -1.34E-09 3.66E-07 2.86E-07 8.01E-15 5.81E-14 -2.23E-13 1201 6 2.21E+10 -2.28E-09 -9.55E-09 2.45E-07 6.64E-07 -6.81E-14 1.19E-13 4.87E-13 1202 7 3.16E+10 -5.58E-10 -1.45E-08 -4.47E-07 4.25E-07 4.07E-06 4.32E-07 2.22E-12 1203 8 4.73E+10 3.22E-10 -2.69E-09 -9.31E-07 -3.12E-08 4.11E-06 7.65E-07 2.34E-06 1204 9 6.31E+10 4.39E-10 -4.85E-10 -3.17E-07 -2.99E-08 2.70E-06 5.21E-07 1.37E-06 1205 10 7.89E+10 4.07E-10 6.81E-12 -1.27E-07 -2.72E-08 1.79E-06 3.50E-07 9.36E-07 1206 11 9.47E+10 3.62E-10 1.28E-10 -6.86E-08 -2.22E-08 1.27E-06 2.52E-07 6.83E-07 1207 12 1.26E+11 3.00E-10 1.68E-10 -3.09E-08 -1.35E-08 7.57E-07 1.56E-07 4.58E-07 1208 13 1.58E+11 2.39E-10 1.60E-10 -1.93E-08 -1.08E-08 5.31E-07 1.10E-07 3.14E-07 1209 14 2.21E+11 1.87E-10 1.37E-10 -1.02E-08 -7.47E-09 3.24E-07 6.41E-08 2.16E-07 1210 15 3.16E+11 1.42E-10 1.16E-10 -5.71E-09 -3.68E-09 1.86E-07 3.87E-08 1.23E-07 1211 16 3.16E+13 5.12E-11 4.54E-11 -9.53E-12 -6.58E-12 1.58E-09 3.05E-10 8.00E-10 ANL-EBS-MD-000033 REV 00 ICN 1 VII-67 July 2000 Table VII-4 Example Zone Volume Calculation (grid block name: “tsw35_A0.f#1:1:28”) Input File (from Table VII-2) Volume Calculation ZONEAVG V1.2 Output File (to Table VII-3) Grid Block Width (x) Row 15 Dx=5.7000e-01 Grid Block Height (z) Row 60 Dz=3.0000e+00 Grid Block Thickness (y) Row 31 Dy=1.0000e+00 Volume = DxDyDz = 0.57*1.0*3.0 = 1.71 Table VII-3 Row 7 ANL-EBS-MD-000033 REV 00 ICN 1 VII-68 July 2000 Table VII-5 Example Zone-Average Temperature Calculation (for Zone 0 at time step 1.577889E+09 sec = 50 yr) Grid Blocks in Zone 0 Temperature at 50 yr Grid Block Volume (m3) Temp. - Volume Product (Table VII-2, Rows 538 through 552) (Table VII-2, Rows 4297 through 4311) (Table VII-3, Row 4 through 18) tsw35_A0.f#1:1:28 53.11517 1.710 90.82694 tsw35_A0.f#2:1:28 53.08694 1.050 55.74129 tsw35_A0.f#3:1:28 53.50336 0.993 52.68199 tsw35_A0.f#4:1:28 53.00732 1.0791 57.20020 tsw35_A0.f#5:1:28 52.94435 1.1391 60.30891 tsw35_A0.f#6:1:28 52.86107 1.260 66.60495 tsw35_A0.f#7:1:28 52.76662 1.0182 53.72697 tsw35_A0.f#8:1:28 52.64904 1.500 78.97356 tsw35_A0.f#9:1:28 52.42227 2.700 141.5401 tsw35_A0.f#10:1:28 51.94830 4.500 233.7674 tsw35_A0.f#11:1:28 50.97080 7.500 382.2810 tsw35_A0.f#12:1:28 49.09311 12.000 589.1173 tsw35_A0.f#13:1:28 46.13511 18.000 830.4320 tsw35_A0.f#14:1:28 42.47522 27.000 1146.831 tsw35_A0.f#15:1:28 39.29050 40.050 1573.585 Totals 121.4994 5413.618 Zone-Average Temperature 5413.618 / 121.4994 = 44.55675 (Table VII-3, Row 1133, 4th column) ANL-EBS-MD-000033 REV 00 ICN 1 VII-69 July 2000 Table VII-6 Example Zone-Average Temperature Calculation (for Zone 6 at time step 1.577889E+09 sec = 50 yr) Grid Blocks in Zone 0 Temperature at 50 yr Grid Block Volume (m3) Temp. - Volume Product (Table VII-2, Rows 898 to 901, & Rows 913 to 914) (Table VII-2, Rows 4657 to 4660, & Rows 4672 to 4673) (Table VII-3, Row 421 through 426) in_A6.f#1:1:52 78.79311 0.172710 13.60836 in_A6.f#2:1:52 78.35376 0.106050 8.309416 in_A6.f#3:1:52 77.77838 0.100293 7.800627 in_A6.f#4:1:52 77.02347 0.108989 8.394719 in_A6.f#1:1:53 75.61913 0.172710 13.06018 in_A6.f#2:1:53 75.09350 0.106050 7.963666 Total 0.766802 59.13697 Zone-Average Temperature 59.13697 / 0.766802 = 77.12155 (Table VII-3, Row 1153, last column) ANL-EBS-MD-000033 REV 00 ICN 1 VIII-1 July 2000 ATTACHMENT VIII SOFTWARE ROUTINE DOCUMENTATION FOR NUFT POST PROCESSOR: VFLUXPROF V1.1 ROUTINE PURPOSE AND DESCRIPTION This attachment describes the initial issue of software routine: VFLUXPROF V1.1. This routine sorts one NUFT output file (*.ext) to obtain one output file containing the vertical component of the gasphase total mass flux, along a vertical profile passing through the drift centerline. The structure of the output file is a table with columns corresponding to vertical position (z-index) and the rows corresponding to the time steps at which NUFT output was generated. The program listing of the VFLUXPROF routine is provided in Table VIII-1. The routine is written in the “perl” scripting language for Unix, and is compatible with any 5.x version of the perl compiler. The program listing of the VFLUXPROF V1.1 is provided in Table VIII-1. The routine was run on a Sun Ultra 2 workstation with SunOS 5.5.1 operating system. VALIDATION TEST CASE Validation of the VFLUXPROF routine was performed by manually checking the input and output files. An example NUFT output file (file: “l4c4-LDTH60-1Dds_mc-ui-01.f.ext”) is used as input to the VFLUXPROF routine. The resulting output file from the VFLUXPROF routine is called “l4c4- LDTH60-1Dds_mc-ui-01.f.ext.q.gas.vflux” and is listed in Table VIII-2. The NUFT file (“l4c4-LDTH60-1Dds_mc-ui-01.f.ext”) and the VFLUXPROF output file (“l4c4- LDTH60-1Dds_mc-ui-01.f.ext.q.gas.vflux”) are available in electronic form (Attachment I). In order to validate the VFLUXPROF routine it is necessary to understand the structure of a NUFT output (*.ext) file. The *.ext file is a single column of numbers or text entries, i.e. the numerical part of the file is a long vector. For inspecting this large file (“l4c4-LDTH60-1Dds_mc-ui-01.f.ext”) it has been converted to an Excel spreadsheet with line numbers, which is available in electronic form (file: “AttachmentVIIRev00BCompleteTable2.xls” see Attachment I to this report). The following is a description of major blocks of information within the file. For the example problem the 2-D model plane (with thickness y = 1 m) is defined by a 15 x 85 mesh. There are 15 grid blocks in the horizontal (x) direction and 85 grid blocks in the vertical (z) direction. The widths of 15 elements in the x-direction are given in Rows 15 through 29, while the heights of 85 elements in the z-direction are given in Rows 33 through 117. The total number of grid blocks is 15 x 85 = 1275. In the NUFT output file, the names of the 1,275 grid blocks are then listed in Rows 133 through 1407. They are entered as eighty-five 15-block horizontal sequences, each one starting with the drift axis, and extending to the pillar axis (x-index from 1 to 15). Next, the NUFT output file (for 2-D “chimney” models without nested meshing) lists all pairs of grid blocks which adjoin in the vertical direction, along the vertical strip coincident with the drift axis. This list appears in Rows 1409 through 1492, and is exactly the vertical profile for which data are sorted using VFLUXPROF. The listing of grid block pairs continues, for a total of 2450 records, from Rows 1409 through 3858. NUFT output data are written to the *.ext file in the same order that they appear in the list of grid block names, but the organization also depends on the number of scalar variables for which NUFT generates ANL-EBS-MD-000033 REV 00 ICN 1 VIII-2 July 2000 output at each time step. For this input file that number is 5 (liquid saturation, air mass-fraction, temperature, evaporation rate per block, evaporation rate per volume). At each time step, 1275 values of each of these variables are written in turn, separate by timing and blocking parameters. Then 2450 values are written containing flux information. The vertical flux information used by VFLUXPROF is the first 85 of these values. Each data value in the output file was manually checked and compared against the input data. That is, the sequence of data blocks was counted out and parsed, and the 85 values at the beginning of each 2450-value block of data, were compared to the VFLUXPROF output (Table VIII-2). A map of the structure of the intput and output files is shown in Table VIII-3. It was found that all the output data were in agreement with the input data. The routine provides correct results for the range of parameters obtained from NUFT outputs. Therefore, the software routine VFLUXPROF V1.1 is validated for its intended use within the validation range of 50 to 1,000,000 years. This routine is valid for parsing the “q.gas” variable from the output of NUFT V3.0s, for any 2-D simulation problem. The vertical profile is always located along the boundary of the model corresponding to the x=1 grid block indices. ANL-EBS-MD-000033 REV 00 ICN 1 VIII-3 July 2000 Table VIII-1 Program Listing for Software Routine VFLUXPROF V1.1 #!/usr/local/bin/perl -s $_version = "vfluxprof.sh 1.2 10/20/99 13:48:27 LLNL"; print "$_version\n"; $x=1 unless defined($x); $y=1 unless defined($y); foreach $file (@ARGV) { print "Parsing file $file...\n"; $pardata=&getPVals($file,$x,$y); foreach $param (keys(%{$pardata})) { next if $param eq 'zloc'; print "Output parameter $param...\n"; open(PAR,">$file.$param.vflux") || die "Cannot open output file $file.$par.vprof: $!\n"; &writeHeader(PAR,@{$pardata->{'zloc'}}); $vdat=$pardata->{$param}; foreach $i (0..$#{$vdat}) { &writeData(PAR,$i,$vdat->[$i]->{'time'},@{$vdat->[$i]->{'vprof'}}); } close(PAR); } } sub writeData { my($fl,$tidx,$time,@data)=@_; my($i); printf $fl "%d\t%e",$tidx,$time; foreach $i (0..$#data) { printf $fl "\t% 12e",$data[$i]; } printf $fl "\n"; } sub writeHeader { my($fl,@z)=@_; my($num); printf $fl "\tZ Indices"; foreach $i (1..$#z+1) { printf $fl "\t%12d",$i; } printf $fl "\n"; printf $fl "Time\t Distances"; foreach $i (0..$#z) { printf $fl "\t% 12e",$z[$i]; } printf $fl "\n"; } sub getPVals { my($fl,$xloc,$yloc)=@_; my($grd,@dz,$idxlst,$par,$info,$zloc,$i); open(RES,"<$fl")||die "Unable to open $fl: $!\n"; $info=&getFileInfo(RES); $idxlst=&getIndices("#$x:$y:.*#$x:$y:", @{$info->{'vblk'}}); die "No blocks available at x=$x and y=$y\n" unless $idxlst; print "Extracting data...\n"; ANL-EBS-MD-000033 REV 00 ICN 1 VIII-4 July 2000 $par=&getLines(RES,$info->{'vvar'},scalar(@{$info->{'svar'}}),@{$idxlst}); close(RES); $zloc=[]; $zloc->[0]=$dz[0]; foreach $i (1..$#dz-1) { $zloc->[$i]=$zloc[$i-1]+$dz[$i]; } $par->{'zloc'}=$zloc; foreach $i (0..$#{$idxlst}) { @blk=split(/ /,$idxlst->[$i]); $k0=(split(/:/,$blk[0]))[2]; $k1=(split(/:/,$blk[1]))[2]; push(@flip,$i) if $k1<$k0; } while (($key,$dat)=each(%{$par})) { foreach $i (@flip) { $dat->{'vprof'}->[$i] *= -1 if $dat->{'vprof'}->[$i]; } } return $par; } sub getLines { my($in,$nlst,$noff,@idx)=@_; my($name,$out,$i,$vidx,$data,$dout,$td); $out={}; foreach $name (@{$nlst}) { $out->{$name}=[]; } while ($data=&getData($in)) { $vidx=$data->{'var'}-$noff; next if $vidx>$#{$nlst} || $vidx<0; $name=$nlst->[$vidx]; $dout=[]; for $i (0..$#idx) { next unless defined($idx[$i]); $dout->[$i]=$data->{'data'}->[$idx[$i]]; }$td={}; $td->{'time'}=$data->{'time'}; $td->{'vprof'}=$dout; push(@{$out->{$name}}, $td); } return $out; }# # Pack all ext header info into one structure sub getFileInfo { my($in)=@_[0]; my($info,$grd); $grd=&readGrid($in); die "Could not find grid\n" unless $grd; $info=&readDesc($in); die "Unable to parse block descriptions\n" unless $info; $info->{'grid'}=$grd; return $info; }# # Read a single timestep, single variable data block sub getData ANL-EBS-MD-000033 REV 00 ICN 1 VIII-5 July 2000 { my($in)=@_[0]; my($out,$vidx,$data,$time); return if eof $in; $out={}; $time=<$in>+0.0; $vidx=<$in>-1; $name=$nlst->[$vidx]; $data=&readDataBlk($in,<$in>+0); $out->{'data'}=$data; $out->{'var'}=$vidx; $out->{'time'}=$time; return $out; }# # Extract a list of indices into the date blocks for # block names matching a given (RE) pattern sub getIndices { my($pat,@sb)=@_; my($i,$idx); $idx=[]; foreach $i (0..$#sb) { if ($sb[$i] =~ /$pat/) { push(@{$idx},$i); } } return $idx; }# # Read the variable and block descriptions from the file # Information stored in hash table: # $out->{'svar'}==ordered array of scalar variable names # $out->{'vvar'}==ordered array of connection variable names # $out->{'sblk'}==ordered array of block names for scalar (element) variables # $out->{'vblk'}==ordered array of block connections for vector (connection) varibles # $out->{'vnames'}==ordered array of all varible names sub readDesc { my($in)=@_[0]; my($out,$line,$num,$i); $out={}; do { $line=<$in>; } while $line=~/^\$/; $out->{'svar'}=&readDataBlk($in,$line+0); $out->{'vvar'}=&readDataBlk($in,<$in>+0); $out->{'sblk'}=&readDataBlk($in,<$in>+0); $out->{'vblk'}=&readDataBlk($in,<$in>+0); $out->{'vnames'}=[]; @{$out->{'vnames'}}=@{$out->{'svar'}}; push(@{$out->{'vnames'}},@{$out->{'vvar'}}); $num=0; $num+=scalar(@{$out->{'svar'}}) if defined(@{$out->{'svar'}}); $num+=scalar(@{$out->{'vvar'}}) if defined(@{$out->{'vvar'}}); print "num variables $num\n"; die "No variables found in file\n" unless $num; foreach $i (1..5*$num) { $line=<$in>; } ANL-EBS-MD-000033 REV 00 ICN 1 VIII-6 July 2000 return $out; }# # Read one block from extfile of $num lines # return reference to array of lines sub readDataBlk { my($in,$num)=@_; my($out,$i,$line); $out=[] if $num; foreach $i (1..$num) { $line=<$in>; chomp $line; push(@{$out}, $line); } return $out; }# # Read the grid definition from the file into data area # for rectangular ext file grid will result in # $grd->{'type'}=='rect' # $grd->{'nx'}=value from $nx line # similar from 'ny','nz' # $grd->{'x'}=array of values from $dx block # similar for 'y','z' # return reference to structure # sub readGrid { my($in)=@_[0]; my($line,$grd,$gptr,@tok); $line=<$in> until $line=~s/^\$//; chomp($line); $grd={}; $grd->{'type'}=$line; $gptr=$grd; while ($line=<$in>) { chomp($line); $line=~/^\$continuum/ && do { @tok=split(/ /,$line); $grd->{$tok[1]}={}; $gptr=$grd->{$tok[1]}; next; }; $line=~s/^\$n// && do { @tok=split(/ /,$line); $gptr->{"n$tok[0]"}=0+$tok[1]; next; }; $line=~s/^\$d// && do { $gptr->{$line}=&readDataBlk($in,$gptr->{"n$line"}); next; }; $line=~/^\$end/ && last; } return $grd; } ANL-EBS-MD-000033 REV 00 ICN 1 VIII-7 July 2000 Table VIII-2 Listing of VFLUXPROF Output File “l4c4-LDTH60-1Dds_ui-01.f.ext.q.ga.vflux”. (Each block of data is one output record.) Line # 1 Z Indices = 1 2 Time Distances 0.000000e+00 3 0 1.577880e+09 4 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 5 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 6 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 7 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 8 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 9 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 10 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 11 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 12 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 13 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 14 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 15 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 16 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 17 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 18 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 19 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 20 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 21 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 22 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 23 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 24 -0.000000e+00 -0.000000e+00 -0.000000e+00 -0.000000e+00 25 26 1 3.155760e+09 27 2.471739e-10 2.489617e-10 2.485916e-10 2.486410e-10 28 2.488574e-10 2.494158e-10 2.545599e-10 3.116295e-10 29 2.776163e-10 2.191378e-10 3.197228e-10 3.096037e-10 30 3.360253e-10 2.669949e-10 2.641474e-10 2.631553e-10 31 2.806556e-10 3.499717e-10 7.033902e-10 9.633458e-10 32 2.412567e-09 1.822180e-08 3.771130e-08 6.671471e-08 33 9.123673e-08 1.127203e-07 1.516054e-07 4.352049e-07 34 2.283642e-06 3.331940e-06 3.934694e-07 5.299229e-08 35 5.050921e-08 5.493046e-08 6.039543e-08 3.375497e-08 36 3.704311e-08 3.999939e-08 4.238661e-08 4.395478e-08 37 4.442361e-08 4.343983e-08 3.896953e-08 3.229877e-08 38 2.165604e-08 -0.000000e+00 -0.000000e+00 -0.000000e+00 39 -0.000000e+00 -0.000000e+00 -0.000000e+00 8.344060e-08 40 1.522141e-07 1.386789e-07 1.351019e-07 1.414574e-07 41 1.565522e-07 1.746876e-07 -1.267444e-08 6.482068e-08 42 8.044011e-08 6.563864e-08 4.026657e-08 1.446392e-08 43 5.492097e-09 1.604002e-09 8.901475e-10 1.288063e-10 44 3.805158e-11 1.590347e-11 2.127490e-11 2.040924e-11 45 1.919838e-11 1.771468e-11 1.603314e-11 1.519159e-11 46 1.847729e-11 3.637439e-10 1.226724e-10 5.185678e-11 47 2.836035e-11 3.261628e-11 2.838796e-11 -0.000000e+00 48 49 2 6.311520e+09 50 2.172540e-10 2.187685e-10 2.183204e-10 2.183392e-10 51 2.185572e-10 2.193067e-10 2.259323e-10 3.057499e-10 52 2.555284e-10 2.022451e-10 3.316746e-10 3.677288e-10 ANL-EBS-MD-000033 REV 00 ICN 1 VIII-8 July 2000 53 4.277041e-10 2.620385e-10 2.625073e-10 2.533466e-10 54 2.934154e-10 3.365565e-10 6.291922e-10 9.086817e-10 55 2.075939e-09 1.298157e-08 2.658775e-08 4.784860e-08 56 6.768406e-08 8.722056e-08 1.209437e-07 2.633352e-07 57 1.115432e-06 1.967091e-06 2.211683e-06 3.721159e-07 58 -6.041912e-08 -7.601014e-08 -7.882452e-08 -3.960959e-08 59 -3.312526e-08 -2.731405e-08 -2.177710e-08 -1.650337e-08 60 -1.151051e-08 -6.956262e-09 -1.771561e-09 7.969187e-10 61 1.865388e-09 -0.000000e+00 -0.000000e+00 -0.000000e+00 62 -0.000000e+00 -0.000000e+00 -0.000000e+00 2.981308e-08 63 3.417689e-09 -9.299011e-11 -5.144918e-10 4.557815e-09 64 1.562172e-08 2.723461e-08 9.789213e-09 1.939342e-08 65 4.587895e-08 3.901195e-08 2.272124e-08 7.514976e-09 66 2.179850e-09 1.771288e-10 -5.158053e-11 -2.085465e-10 67 -1.022302e-10 -1.960355e-10 2.557355e-11 2.871348e-11 68 2.938948e-11 2.931321e-11 2.897248e-11 2.660480e-11 69 2.794468e-11 3.137153e-10 1.122503e-10 5.605323e-11 70 3.247253e-11 3.602292e-11 3.122685e-11 -0.000000e+00 71 72 3 9.467280e+09 73 1.578184e-10 1.574449e-10 1.571025e-10 1.573621e-10 74 1.580918e-10 1.604314e-10 1.726328e-10 3.208386e-10 75 2.297873e-10 1.826316e-10 4.009238e-10 5.564880e-10 76 6.286948e-10 2.621826e-10 2.661869e-10 2.408704e-10 77 3.069537e-10 3.325627e-10 6.208150e-10 9.251747e-10 78 2.013258e-09 1.128598e-08 2.274217e-08 4.066121e-08 79 5.767985e-08 7.474872e-08 1.018315e-07 1.969836e-07 80 7.636048e-07 1.515684e-06 1.772686e-06 1.860516e-06 81 5.519052e-07 -1.371246e-07 -1.423980e-07 -7.348664e-08 82 -6.575217e-08 -5.897429e-08 -5.237201e-08 -4.565362e-08 83 -3.876118e-08 -3.172894e-08 -2.201305e-08 -1.497123e-08 84 -8.120252e-09 -0.000000e+00 -0.000000e+00 -0.000000e+00 85 -0.000000e+00 -0.000000e+00 -0.000000e+00 6.722559e-09 86 -5.714626e-08 -5.590218e-08 -5.359572e-08 -4.539316e-08 87 -2.863427e-08 -1.073556e-08 -3.489444e-08 7.744442e-09 88 3.276498e-08 2.933677e-08 1.712883e-08 5.383059e-09 89 1.102503e-09 -4.063112e-10 -4.688847e-10 -4.151903e-10 90 -2.060115e-10 -4.940638e-10 2.997079e-11 3.663314e-11 91 3.831007e-11 3.871405e-11 3.904067e-11 3.496692e-11 92 3.135680e-11 1.024755e-10 4.606293e-11 3.161773e-11 93 2.484934e-11 2.961194e-11 2.537392e-11 -0.000000e+00 94 95 4 1.262304e+10 96 2.740446e-10 2.686965e-10 2.695445e-10 2.712066e-10 97 2.748963e-10 2.819538e-10 3.019184e-10 5.510105e-10 98 4.139068e-10 3.305706e-10 7.402675e-10 9.829981e-10 99 1.113045e-09 5.079206e-10 5.005167e-10 4.613332e-10 100 5.570793e-10 5.786358e-10 8.736644e-10 1.199538e-09 101 2.278147e-09 1.062097e-08 2.079910e-08 3.669127e-08 102 5.212168e-08 6.746400e-08 9.285906e-08 1.739985e-07 103 6.193699e-07 1.256223e-06 1.483741e-06 1.627610e-06 104 1.613411e-06 1.315300e-06 3.696233e-07 -1.511157e-07 105 -1.293656e-07 -1.123174e-07 -9.769127e-08 -8.445115e-08 106 -7.197564e-08 -5.989565e-08 -4.350892e-08 -3.114849e-08 107 -1.811970e-08 -0.000000e+00 -0.000000e+00 -0.000000e+00 108 -0.000000e+00 -0.000000e+00 -0.000000e+00 -8.030550e-09 109 -9.393979e-08 -8.978407e-08 -8.620092e-08 -7.674115e-08 ANL-EBS-MD-000033 REV 00 ICN 1 VIII-9 July 2000 110 -5.679566e-08 -3.434261e-08 -7.052892e-08 2.157109e-09 111 2.506099e-08 2.338489e-08 1.380163e-08 4.182314e-09 112 4.987390e-10 -7.498401e-10 -7.265095e-10 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3.966439e-08 5.033420e-08 335 5.383328e-08 5.737732e-08 3.937516e-08 7.000691e-08 336 7.381671e-08 5.659297e-08 8.971629e-08 9.333823e-08 337 7.485957e-08 -0.000000e+00 -0.000000e+00 -0.000000e+00 ANL-EBS-MD-000033 REV 00 ICN 1 VIII-13 July 2000 338 -0.000000e+00 -0.000000e+00 -0.000000e+00 5.187480e-08 339 4.186616e-08 3.726197e-08 3.128940e-08 2.558570e-08 340 2.029732e-08 1.738813e-08 1.459191e-08 1.203810e-08 341 9.457251e-09 6.309492e-09 3.378017e-09 1.367452e-09 342 7.609486e-10 6.709841e-10 5.710638e-10 1.911495e-10 343 1.393200e-10 1.553281e-10 5.976508e-13 -5.719769e-12 344 -8.805510e-12 -8.119463e-12 -7.005476e-12 -7.612674e-12 345 2.831062e-11 2.127468e-10 -2.453901e-10 -1.306293e-10 346 -6.094694e-11 -2.745030e-11 -7.875680e-12 -0.000000e+00 347 348 15 3.155760e+11 349 6.612882e-10 7.447578e-10 7.131694e-10 6.828459e-10 350 6.410887e-10 6.363890e-10 6.480363e-10 8.522903e-10 351 1.624841e-10 2.306460e-10 3.631245e-10 3.943250e-10 352 3.987029e-10 1.158473e-10 5.894170e-11 5.727064e-11 353 3.122202e-11 -7.211897e-12 3.349531e-12 3.017709e-11 354 1.284125e-10 1.167434e-09 2.030797e-09 3.437049e-09 355 4.808954e-09 6.452406e-09 7.596126e-09 9.204864e-09 356 1.151371e-08 1.467375e-08 1.666188e-08 1.989567e-08 357 2.259444e-08 2.489979e-08 2.929393e-08 3.223669e-08 358 1.999775e-08 4.049351e-08 4.281771e-08 4.528979e-08 359 4.766787e-08 3.734355e-08 5.709617e-08 5.836729e-08 360 4.472668e-08 -0.000000e+00 -0.000000e+00 -0.000000e+00 361 -0.000000e+00 -0.000000e+00 -0.000000e+00 3.891302e-08 362 3.597871e-08 3.208545e-08 2.588668e-08 2.135727e-08 363 1.724880e-08 1.393927e-08 1.156435e-08 9.457411e-09 364 7.444316e-09 5.420440e-09 3.365381e-09 1.699207e-09 365 6.723915e-10 3.695437e-10 2.831803e-10 9.607827e-11 366 6.742687e-11 6.344559e-11 1.133926e-11 1.173325e-11 367 1.185954e-11 1.162977e-11 1.221471e-11 1.571999e-11 368 3.469135e-11 -1.494034e-11 -1.269242e-10 -3.304329e-11 369 5.745898e-12 -8.080538e-12 -9.435583e-12 -0.000000e+00 370 371 16 3.155760e+13 372 -1.082003e-10 -5.221504e-11 -5.199545e-11 -5.177120e-11 373 -5.153404e-11 -5.123393e-11 -5.050667e-11 -5.102696e-11 374 -2.558444e-11 -4.659502e-11 -3.588581e-11 -5.877219e-11 375 -1.792370e-11 -4.186150e-11 -4.862118e-11 -4.917456e-11 376 -4.885122e-11 -4.886155e-11 -4.874107e-11 -4.731215e-11 377 -4.204510e-11 -2.819542e-11 -4.360171e-12 3.412892e-11 378 7.286036e-11 1.088598e-10 1.446045e-10 1.915476e-10 379 2.456554e-10 3.155435e-10 3.765732e-10 4.754490e-10 380 5.634199e-10 6.376057e-10 7.200168e-10 5.824348e-10 381 6.380532e-10 7.014158e-10 7.533466e-10 8.079939e-10 382 8.472829e-10 8.751926e-10 8.809014e-10 8.420590e-10 383 7.408887e-10 -0.000000e+00 -0.000000e+00 -0.000000e+00 384 -0.000000e+00 -0.000000e+00 -0.000000e+00 6.208145e-10 385 1.210728e-09 1.002935e-09 8.206303e-10 6.529402e-10 386 5.203670e-10 4.291965e-10 3.498871e-10 2.805254e-10 387 2.144331e-10 1.464391e-10 7.894893e-11 2.622343e-11 388 1.120083e-11 4.797133e-12 3.809915e-12 2.276718e-12 389 2.001478e-12 1.234107e-12 3.666985e-13 4.125901e-13 390 4.961561e-13 5.534125e-13 5.052088e-13 8.454612e-13 391 2.508503e-12 2.764822e-10 1.019946e-10 4.845023e-11 392 3.380556e-11 2.644769e-11 2.341791e-11 -0.000000e+00 ANL-EBS-MD-000033 REV 00 ICN 1 VIII-14 July 2000 Table VIII-3. Locations of Input and Output Data Checked for Validation of Routine VFLUXPROF. NUFT Output Input Gas Flux Data Output Gas Flux Data Time (Location in (Location in Step # NUFT Output File) A VFLUXPROF Output File) B 0 Rows 10282 to 10366 Rows 4 to 24 1 Rows 19125 to 19209 Rows 27 to 47 2 Rows 27968 to 28052 Rows 50 to 70 3 Rows 36811 to 36895 Rows 73 to 93 4 Rows 45654 to 45738 Rows 96 to 116 5 Rows 54497 to 54581 Rows 119 to 139 6 Rows 63340 to 63424 Rows 142 to 162 7 Rows 72183 to 72267 Rows 165 to 185 8 Rows 81026 to 81110 Rows 188 to 208 9 Rows 89869 to 89953 Rows 211 to 231 10 Rows 98712 to 98796 Rows 234 to 254 11 Rows 107555 to 107639 Rows 257 to 277 12 Rows 116398 to 116482 Rows 280 to 300 13 Rows 125241 to 125325 Rows 303 to 323 14 Rows 134084 to 134168 Rows 326 to 346 15 Rows 142927 to 143011 Rows 349 to 369 16 Rows 151770 to 151854 Rows 372 to 392 Notes: A. File: “l4c4-LDTH60-1Dds_ mc-ui-01.f.ext” which has been reformatted as an Excel spreadsheet with line numbers (“AttachmentVIIRev00BCompleteTable2.xls”). Theses files are available in electronic form (Attachment I). B. Row numbers in Table VIII-2. Based on VFLUXPROF output file: “l4c4-LDTH60-1Dds_mc-ui-01.f.ext.q.gas.vflux” (Attachment I). ANL-EBS-MD-000033 REV 00 ICN 1 IX-1 July 2000 ATTACHMENT IX SOFTWARE ROUTINE DOCUMENTATION FOR THERMAL-HYDROLOGY-GAS MODEL CALCULATION SPREADSHEETS IX.1 ROUTINE IDENTIFICATION This Attachment describes the issue of software routines: · th+gas_model-L4C4-ui-04.xls Version 1.1 · th+gas_model-L4C4-lii -04.xls Version 1.1 · th+gas_model-L4C1-ui-04.xls_ Version 1.1 · th+gas_model-L4C1-li-04.xls_Version 1.1 These are Excel 97 (SR-2) spreadsheets. The source codes have been submitted in electronic form (Attachment I). These routines were run on a Dell Poweredge 2200 PC (Pentium Pro; Windows 95 4.00.950 B). These four spreadsheets contain the same organization, links, and formulae, but with different input data. They are classified as routines per AP-SI.1Q, and are qualified by this Attachment. IX.2 ROUTINE PURPOSE The purpose of the subject spreadsheet routines is to assemble the thermal-hydrology (TH) information calculated by NUFT and post-processed using other routines: · ZONEAVG V1.2 – Calculates zone-averaged scalar variables · VFLUXPROF V1.1 – Sorts NUFT output for the vertical component of the total gasphase mass flux along a vertical profile through the drift centerline · MYPLOT V1.1 – Calculates total (fracture + matrix) gas-phase and liquid-phase water fluxes between zones and to manipulate this information for interpretation of TH state variables and fluxes (Worksheet: THmodel), evaporation (Worksheet: Evap), gas fluxes and fugacities (Worksheet: Gasmodel), and steel corrosion (Worksheet: Steel). The final results needed for chemical modeling are then summarized in a worksheet that is named for the TH case (e.g. Worksheet: CHEMprobL4C4upper). Manipulation of the calculated TH results includes parsing the time axis into a number of discrete steps for which the thermal and hydrologic conditions are held constant to facilitate chemical modeling. The beginning and ending time for each time step are determined by user-defined input. For each step, mid-points on the time axis are also assigned, and calculated TH results at the mid-points are used to represent the time steps. State variables such as temperature and air mass-fraction, and mass fluxes between zones, are thus represented in a stepwise manner. ANL-EBS-MD-000033 REV 00 ICN 1 IX-2 July 2000 IX.3 ROUTINE DESCRIPTION The following description applies to each one of the four spreadsheets listed above, which correspond to the four TH cases. Where appropriate, the routine in file: “th+gas_model- L4C4-ui-04.xls” is used as an example. Otherwise, file names are specified using asterisks to indicate how the discussion applies to any of the four routines. Input Data Calculated results are transferred manually from the output files of NUFT post-processors, and from other sources as noted: · Zone-averaged liquid saturation, air mass-fraction, temperature, and evaporation rate in the matrix continuum (from *.m.ext.zavg files). The entire contents of the corresponding *.m.ext.zavg file is transferred to Worksheet: Matrix.zavg. (This file also includes the calculated volume for each grid block.) · Zone-averaged liquid saturation, air mass-fraction, temperature, and evaporation rate in the fracture continuum (from *.f.ext.zavg files). For each spreadsheet the entire contents of the corresponding *f.ext.zavg file is transferred to Worksheet: Fracture.zavg. (This file also includes the calculated volume for each grid block.) · Total (fracture + matrix) liquid and gas fluxes between zones (from the *.exl file). For each spreadsheet the entire contents of the corresponding *.exl file are transferred to Worksheet: Zone fluxes. · The vertical component of gas-phase total mass flux along a vertical profile passing through the center of the drift opening. For each spreadsheet the entire contents of the corresponding *.vflux file are transferred to Worksheet: Vertflux. Input is transferred directly (manually) from the above source files using Excel, which is described below in more detail. In addition, other information is used as input data: · Water vapor pressure vs. temperature correlation based on tabulated data (Worksheet: Vapor Pres.). · Physical constants of water vapor, liquid water, air, CO2 gas, and O2 gas (Worksheet: Gasmodel). · Porosity for EBS backfill and invert materials, from the include-file used with NUFT simulations (Worksheet: Zone.volume). · Thermal output of spent fuel waste expressed as the average lineal power loading in the emplacement drifts, as a function of time (Worksheet: Evap). · User-defined input defining the length of each time period, and the time value at which the TH conditions are selected to represent that period (Worksheet: THmodel). This information is “hard-wired” into the spreadsheet, so that to redefine the time periods ANL-EBS-MD-000033 REV 00 ICN 1 IX-3 July 2000 would require that many other redefined also. For the current versions of the subject routines the time periods are defined as shown in Table IX-1. IX.3.1 Worksheet: Matrix.zavg The entire contents of the *.m.ext.zavg file for the corresponding TH case, are imported to a new Excel workbook, then copied and pasted into this worksheet (the new workbook is discarded). The space-delimiter is selected (with multiple spaces treated as one) so that the information is organized in columns. IX.3.2 Worksheet: Fracture.zavg The entire contents of the *.f.ext.zavg file for the corresponding TH case, are imported to a new Excel workbook, then copied and pasted into this worksheet (the new workbook is discarded). The space-delimiter is selected (with multiple spaces treated as one) so that the information is organized in columns. IX.3.3 Worksheet: Zone fluxes Calculated flux data from the *.exl file for the corresponding TH case, are imported to a new Excel workbook, then copied and pasted into this worksheet (the new workbook is discarded). The space-delimiter is selected (with multiple spaces treated as one) so that the information is organized in columns. This worksheet is a table with column headings, and the imported data are placed in specific rows for each time step. IX.3.4 Worksheet: Vertflux Sorted vertical flux data from the *.vflux file for the corresponding TH case, are imported to a new Excel workbook, then copied and pasted into this worksheet (the new workbook is discarded). The space-delimiter is selected (with multiple spaces treated as one) so that the information is organized in columns. This worksheet is a table in which the columns correspond to grid blocks, with depth increasing to the right. The input data are imported in rows, and are placed in specific rows for each time step. IX.3.5 Worksheet: Zone.volume This worksheet tallies the grid block volumes calculated by routine “ZONEAVG V1.2” and imported to worksheet: Fracture.zavg. For the L4C4 location (files: “th+gas_model-L4C4- ui-04.xls” and “th+gas_model-L4C4-li-04.xls”) Rows 1 through 426 are copied from that worksheet. For the L4C1 location (files: “th+gas_model-L4C1-ui-04.xls” and “th+gas_model-L4C1-li-04.xls”) Rows 1 through 455 are copied. The difference in row count is caused by hydrostratigraphic differences, and thus different model gridding, for the two locations. The first column of the imported information is the grid block name. For Zones 0 through 6 the grid block name includes the string “An” where n is the zone number. The third column ANL-EBS-MD-000033 REV 00 ICN 1 IX-4 July 2000 of the imported information is the calculated grid block volume. The dimension of all grid blocks along the third axis (y-axis) is 1 m, so all volume calculations are based on volume per meter of emplacement drift. This worksheet sums the grid block volumes for all grid blocks in each zone, summing the specific ranges shown in Table IX-2. The results are posted in Column D. Column E is annotation. Column F is the type of material assigned to each zone, and is defined to be consistent with the material properties assigned to grid blocks in the NUFT input files (e.g., file: “L4C4-LDTH60-1Dds_mc-ui-01.in” for the L4C4 location and the “upper” infiltration distribution; these files are available electronically and are listed in Attachment I). Columns G and H are respectively the fracture and matrix continuum porosity values assigned to these materials in the “rocktab” include-files used as input to NUFT (files: "dkm-afc-EBS_Rev10", "dkm_afc-ds-NBS-l_inf", and "dkm_afc-ds-NBS-u_inf"; these files are available electronically and are listed in Attachment I). Column I sums the fracture and matrix continuum properties to determine the total porosity for each zone. Columns J, K, and L are void volumes calculated respectively for the fracture continuum, matrix continuum, and both continua, for each zone. These are obtained by multiplying the zone volume in Column D, by the porosities in Columns G, H, and I. Columns M, N are respectively the solid density values assigned to the fracture and matrix continua, for the materials occupying each zone, in the “rocktab” include-files used as input to NUFT (include-files: "dkm-afc-EBS_Rev10", "dkm_afc-ds-NBS-u_inf", and "dkm_afc-ds-NBS-l_inf"; these are available electronically and are listed in Attachment I). These values are entered for Zones 1 and 2 (tsw35 unit for the L4C4 location, and tsw34 unit for the L4C1 location). The porosity and density calculations are done differently for the engineered materials. Column O is the resultant solid density (grain density) for the material in each zone. For the tsw35 unit this is the sum of the matrix and fracture contributions. For the engineered materials (Zones 3 through 6) this is calculated from the total porosity in Column I, and the bulk density (input values are justified in the accompanying Analysis/Model Report). Finally, the solid mass in each zone is obtained in Column P, by multiplying the zone volume in Column D, by the total solid density in Column O. IX.3.6 Worksheet: Vapor Pres. The purpose of this worksheet is to develop an interpolating function for the saturated vapor pressure of water, as a function of temperature over the temperature range from 25 to 95°C which defines the range of validation. The data are shown in Columns A and B (from Weast and Astle 1981; p. D-168). In Column C the vapor pressure is converted from mm Hg to atm using the conversion 1 atm = 760 mm Hg (Weast 1984; p. F-282). Column C is plotted against Column A, and the “Add Trendline” feature of Excel is used to find the following 6thorder polynomial least-squares fit: ANL-EBS-MD-000033 REV 00 ICN 1 IX-5 July 2000 P = -3.7346x10-14 T6+3.6840x10-11 T5+1.9505x10-9 T4+2.7716x10-7T3+ 1.5044x10-5T2+3.9790x10-4T+0.0064609 (IX-1) The correlation coefficient is calculated by Excel, and reported on the plot (R2 = 1.0000). The equation for vapor pressure is verified against the tabulated data for vapor pressure (Weast and Astle., p. D-168). IX.3.7 Worksheet: Evap The total nonzero evaporation is summed for Zones 1 through 6, for comparison to the thermal output of the waste packages. The zone-averaged qPhCh.gas variable is copied from Worksheet: Matrix.zavg, for Zones 0 through 6, to Range C6:I22. The associate times, and time indices are copied to Columns B and A, respectively. Similarly, the zone-averaged qPhCh.gas variable is copied from Worksheet: Fracture.zavg, for Zones 0 through 6, to Range L6:R22. The associate times, and time indices are copied to Columns K and J, respectively. The corresponding total zone volumes are copied to Row D, from Worksheet: Zone.volume. In Column S, the nonzero evaporation rates are multiplied by the zone volumes, and summed. Negative evaporation is condensation, which is not of interest in a comparison with thermal output, and therefore not included in the calculation. In Column T the total evaporation rates (all zones) are converted to evaporation power in units of Watts per meter of drift. This involves multiplying by the heat of vaporization of water (2257 kJ/kg at 100°C; Incropera and DeWitt, 1996, p. 846), and multiplying by 2 to represent the full-drift evaporation (the NUFT output is for a half-drift). In Column U the time values are converted from seconds to years. In Column V the thermal output of a line of representative waste packages, is copied for the specific time steps from file: "LDTH-SDT-0.3Qheat-50y_vent-00" (Attachment I). Finally, in Column W the evaporation power from Column T is expressed as a percentage of the thermal output from Column V. IX.3.8 Worksheet: THmodel IX.3.8.1 Input from Other Worksheets This worksheet assembles and adjusts calculated TH information from various sources, for use in the chemical models. First the zone-to-zone liquid and gas-phase water fluxes are copied from worksheet: Zone fluxes. Range B10:H25 is copied from worksheet: Zone fluxes, Range B13:H28. Range B37:H52 is copied from worksheet: Zone fluxes, Range I13:O28. The times in Column A are copied from Column A of worksheet: Zone fluxes. Data from the pre-closure period prior to 50 yr are not used because the zones are defined differently (backfill and drip shield not yet installed) and the TH processes are dominated by ventilation, which is included as a heat removal process but not as a moisture removal process in the models. ANL-EBS-MD-000033 REV 00 ICN 1 IX-6 July 2000 IX.3.8.2 Step-Wise Description of TH Conditions The discrete time periods are defined in Columns J through L. Column J is the nominal time from which calculated data values are used to represent the time period that begins and ends as shown in Columns K and L, respectively. Based on these definitions, the flux data from Columns B through H are sorted in Columns Z through AG, so that the step-wise functions can be plotted. Range Z3 :AG13 represents the step-wise variation of zone-to-zone liquid water fluxes, and is based on input data from Range B10:H24. Range Z17:AG27 represents the step-wise variation of gas-phase water vapor fluxes, and is based on input data from Range B37:H51. Plots are presented in Columns N through X which show the variation of liquid and gas-phase water fluxes, both as step-wise functions and as the finer-scale calculated data from NUFT. IX.3.8.3 Liquid Mass in Each Zone The first block of calculations is performed in Columns AI through AP. First, the needed input data are copied from other parts of the spreadsheet. Column AI contains the nominal time information from Column J. Zone-to-zone liquid fluxes are copied into Range AJ4:AP9 from Columns B through H (Rows 11, 15, 17, 19, 22, and 24), only for the nominal times assigned to the time periods. Likewise, gas-phase water vapor fluxes are copied into Range AJ13:AP18 from Columns B through H (Rows 38, 42, 44, 46, 49, 51). Zone-averaged temperature for the fracture continuum is copied into Range AJ22:AP27 from Worksheet: Fracture.zavg, Columns C through I (Rows 1154, 1158, 1160, 1162, 1166, and 1168). Comparison of fracture temperature (Worksheet: Fracture.zavg, Rows 1153 through 1169) and matrix temperature (Worksheet: Matrix.zavg, Rows 1153 through 1169) shows that they are essentially identical, so fracture temperature is used to represent local temperature in this routine. Zone-averaged air mass-fraction for the fracture continuum is copied into Range AJ40:AP45 from Worksheet: Fracture.zavg, Columns C through I (Rows 1112, 1116, 1118, 1120, 1124, and 1126). Zone-averaged liquid saturation for the matrix continuum is copied into Range AJ49:AP54 from Worksheet: Matrix.zavg, Columns C through I (Rows 1112, 1116, 1118, 1120, 1124, and 1126). Zone volume for Zones 1 through 6, is copied from Worksheet: Zone.volume. The calculated values from Columns J, K, and L of that worksheet are transposed and copied into Ranges AK58:AP58, AK62:AP62, and AK66:AP66, respectively. The liquid mass in each of Zones 1 through 6 is calculated in Range AK70:AP75 by adding the liquid mass in the matrix and fractures: Mi = (Vf,i Sf,i + Vm,i Sm,i) * 1000 (IX-2) where Mi = Liquid mass in the ith zone (kg/m) ANL-EBS-MD-000033 REV 00 ICN 1 IX-7 July 2000 Vf,i = Fracture void volume of the ith zone (m3/m) Sf,i = Fracture saturation in the ith zone Vm,i = Matrix void volume of the ith zone (m3/m) Sm,i = Matrix saturation in the ith zone and the result is multiplied by 1,000 to convert from cubic meters to kilograms. Note that zero liquid mass is calculated for zones within the drift, for early time periods when the EBS is dry. IX.3.8.4 Balancing Mass Fluxes for Each Zone Worksheet: THmodel includes a mass-balance analysis to verify that mass influx and outflux of water and water vapor sum to zero for each zone, for each time period, i.e. that step-wise steady-state flux conditions pertain. This is done as a check for errors associated with stepwise representation of fluxes and state variables, with zero change in storage for each zone during each time period. Also, there are small mass fluxes in and out of Zones 5 and 6 during cooldown that are not included in the NUFT output as it was specified for these models. In summary, the need for these small adjustments arises from temporal and spatial discretization of the NUFT-calculated TH data. The zone-to-zone liquid mass fluxes needed for chemical modeling are calculated directly from NUFT output using the MYPLOT V1.1 software routine. The balance of influx and outflux for each zone is needed to estimate gas fluxes, which in turn are used to estimate evaporative concentration factors for each zone. First, the mass balance residuals for each zone are calculated by adding together all the liquid and vapor mass fluxes into and out of the zone, as reported by NUFT output (Range AK79:AP84). This mass balance can be represented as: å - å - å + å = gas liquid gas liquid out out in in balance Mass (IX-3) This equation is implemented differently for the six zones because of their connectivity: · Zone 1 (Range AK79:AK84) – Mass balance is the sum of liquid and gas influx from Zone 0 (data from Range AJ4:AJ9 and Range AJ13:AJ18, respectively) minus liquid and gas outflux to Zone 2 (from Range AK4:AK9 and Range AK13:AK18, resepectively). The resulting sum approximately represents the mass flux from Zone 1 back to the host rock, diverted around the drift (positive is out of Zone 1), not accounting for mass storage effects. · Zone 2 (Range AL79:AL84) – Mass balance is the sum of liquid and gas influx from Zone 1 (data from Range AK4:AK9 and Range AK13:AK18, respectively) minus liquid and gas outflux to Zone 3 (from Range AL4:AL9 and Range AL13:AL18, resepectively). This sum approximately represents the mass flux from Zone 2 back to Zone 0, diverted around the drift (positive is out of Zone 2), not accounting for mass storage effects. ANL-EBS-MD-000033 REV 00 ICN 1 IX-8 July 2000 · Zone 3 (Range AM7:AM84) – Mass balance is the sum of liquid and gas influx from Zone 2 (data from Range AL4:AL9 and Range AL13:AL18, respectively), minus liquid and gas outflux to Zone 4 (data from Range AM4:AM9 and Range AM13:AM18, resepectively), minus liquid and gas outflux to Zone 5 (data from Range AN4:AN9 and Range AN13:AN18, respectively). This sum should be zero for steady state flow conditions, however, such conditions do not strictly apply to NUFT output so a correction is needed to represent NUFT output by stepwise constant conditions. · Zone 4 (Range AN79:AN84) – Mass balance is the sum of liquid and gas influx from Zone 3 (data from Range AM4:AM9 and Range AM13:AM18, respectively) minus liquid and gas outflux to Zone 5 (data from Range AO4:AO9 and Range AO13:AO18, respectively). This sum should also be zero for steady state flow conditions, however, such conditions do not strictly apply to the NUFT output so a correction is needed to represent NUFT output by stepwise constant conditions. · Zone 5 (Range AO79:AO84) – Mass balance is the sum of liquid and gas influx from Zone 3 (data from Range AN4:AN9 and Range AN13:AN18, respectively), plus liquid and gas influx from Zone 4 (data from Range AO4:AO9 and Range AO13:AO18, respectively), minus liquid and gas outflux to Zone 6 (data from Range AP4:AP9 and Range AP13:AP18, respectively). This sum approximately represents the mass flux from Zone 5 back to the host rock through the drift wall (positive is out of the drift), not ascounting for mass storage effects. · Zone 6 (Range AP79:AP84) – Mass balance is the sum of liquid and gas influx from Zone 5 (data from Range AP4:AP9 and Range AP13:AP18, respectively). This sum approximately represents the mass flux from Zone 6 back to the host rock through the drift floor (positive is out of the drift), not accounting for mass storage effects. The next step is to assign the mass flux residuals either to gas fluxes or liquid fluxes, so that the final residuals are zero. This is implemented in new summations of all the gas- and liquid-phase water fluxes into and out of each zone, in Range AK96:AP101 for gas fluxes, and Range AK105:AP110 for liquid fluxes. These summations consider each zone separately, i.e. all the fluxes into and out of each zone, without regard to the respective sources or destinations of the fluxes. The zone-to-zone liquid- and gas-phase fluxes are from Range AJ4:AP9, and Range AJ13:AP18, respectively. The mass flux residuals for each zone are added to either the liquid- or gas-phase flux summations. The rules used to assign the mass balance residuals to the liquid- or gas-phase are as follows: · For Zones 1 and 2 mass flux residuals are assigned to the liquid-phase because the fluxes exit the lower boundaries of the zones, and because liquid fluxes tend to greatly exceed vapor fluxes in these zones. · For Zones 3 and 4 the residuals are assigned to the gas phase which maximizes evaporation (for positive residuals). · For Zones 5 and 6 the residuals are assigned to the gas phase in early time when the zones are dry (or nearly so), then to the liquid phase after positive liquid mass returns. The transition to liquid-dominated conditions in Zones 5 and 6 occurs at different times for the four TH cases: ANL-EBS-MD-000033 REV 00 ICN 1 IX-9 July 2000 - Location L4C1, “lower” infiltration: Liquid mass returns for Time Period 4 - Location L4C1, “upper” infiltration: Liquid mass returns for Time Period 2 - Location L4C4, “lower” infiltration: Liquid mass returns for Time Period 5 - Location L4C4, “upper” infiltration: Liquid mass returns for Time Period 4 The mass balance residuals are recalculated as a check in Range AK114:AP119, by summing the gas phase and liquid phase adjusted net fluxes for each zone, and each time period. Comparison with Range AK79:AP84 shows that the recalculated residuals are very small, or zero. IX.3.8.5 Relative Humidity Relative humidity (RH) in each zone is estimated in Worksheet: THmodel for the purpose of timing the onset of steel corrosion, in Worksheet: Steel. (RH can also be calculated and output directly from NUFT, but this was not done for this set of models.) The air massfraction (Range AK31:AP36) and the temperature (Range AK22:AP27) are used to calculate RH using the formula: þ ý ü î í ì c - + c c - = ) 1 ( ) MW / MW ( 1 P P RH air air O 2 H air air * O 2 H T (IX-4) where PT = Total pressure (atm) P* H2O = Saturated vapor pressure of water (atm) as a function of the temperature from Range AK22:AP27 cair = Air mass-fraction MWH2O = Molecular weight of water (0.018013 kg/ mol; Table IX-3) MWair = Equivalent molecular weight of air (0.02896 kg/ mol; Table IX-3) The function P* H2O is based on the polynomial curve fit to tabulated vapor pressure data, developed in Worksheet: Vapor Pres. (see above). The RH is calculated in Range AK124:AP129, using values for the air mass-fraction from Range AK31:AP36. The total pressure (PT) is calculated from the arithmetic average of the ground surface pressure (84,511 Pa) and water table pressure (92,000 Pa) boundary conditions. These same values are used in the NUFT runs for the L4C4 location (Section 4.1.1). The resulting average (88,256 Pa) is converted to atm units using a conversion factor of 1.013 x 105 Pa/atm (Weast and Astle 1981; see the conversion from atm to dynes/cm2 on p. F-282, the conversion from dynes to Newtons on p. F-288, and the conversion from cm2 to m2 on p. F- 301). For the L4C1 location the ground surface pressure is 85,587 Pa, and the average pressure is 88,794 Pa. ANL-EBS-MD-000033 REV 00 ICN 1 IX-10 July 2000 IX.3.8.6 Zone Influx Conditions for Conservative Solute Modeling Columns AR through BB show the data assembled for the hypothetical, conservative solute calculation. Columns AR and AS are copied from columns K and L, respectively. Similarly, the zone-to-zone liquid flux values in Range AT4 :AZ8 are copied from Range AJ4:AP8, and the temperatures in Range AT20:AZ24 are copied from Range AJ22:AP26. For the conservative solute calculation to be solved by the Runge-Kutta solution algorithm (software routine: “SoluteRKV1.1_*”), the positive magnitudes for all influxes and outfluxes are required for each zone. For example, if an influx to a zone is negative, then zero is assigned and the flux magnitude is accounted as an outflux. This type of accounting is used because solute is transferred among different zones, and the source and destination must be explicit for such transfer (i.e. fluxes in the conservative solute model must be non-negative). The influxes to Zone 1 through Zone 6 are sorted in Range AT29:BB33 and Range AT38:BA42. The following discussion is organized according to all possible influxes to each zone, listed from Zone 1 to Zone 6. Zone 1 · Zone 0 to Zone 1 (Range AT29:AT33) – This is the liquid percolation from Zone 0 to Zone 1, from above. Positive values from Range AJ4:AJ8 are copied, otherwise this flow is zero. · Zone 0 to Zone 1 (Range AU29:AU33) – This is liquid flow upward from the host rock into the lower boundary of Zone 1, calculated from mass balance. Negative values from Range AK79:AK83 are copied and converted to positive values, otherwise this flow is zero. · Zone 2 to Zone 1 (RangeAV29:AV33) – This is outward liquid flow from the wall rock into the surrounding host rock. Negative values from Range AK4:AK8 are copied and converted to positive values, otherwise this flow is zero. Zone 2 · Zone 1 to Zone 2 (Range AW29:AW33) – This is inward liquid flow from the host rock to the rock at the drift wall. Positive values from Range AK4:AK8 are copied, otherwise this flow is zero. · Zone 0 to Zone 2 (Range AX29:AX33) – This is liquid flow upward from the host rock into the lower boundary of Zone 1, calculated from mass balance. Negative values from Range AL79:AL83 are copied and converted to positive values, otherwise this flow is zero. · Zone 3 to Zone 2 (Range AY29:AY33) – This is liquid flow outward from the backfill to the surrounding host rock. Negative values from Range AL4:AL8 are copied and converted to positive values, otherwise this flow is zero. Zone 3 ANL-EBS-MD-000033 REV 00 ICN 1 IX-11 July 2000 · Zone 2 to Zone 3 (Range AZ29:AZ33) – This is liquid inflow from the host rock to the backfill. Positive values from Range AL4 :AL8 are copied, otherwise this flow is zero. · Zone 4 to Zone 3 (Range BA29:BA33) – This is outward liquid flow from the backfill at the drip shield surface, to the upper backfill. Negative values from Range AM4:AM8 are copied and converted to positive values, otherwise this flow is zero. · Zone 5 to Zone 3 (Range BB29:BB33) – This is upward liquid flow from the lower backfill to the upper backfill. Negative values from Range AN4:AN8 are copied and converted to positive values, otherwise this flow is zero. Zone 4 · Zone 3 to Zone 4 (Range AT38:AT42) – This is inward liquid flow from the upper backfill, to the backfill at the drip shield surface. Positive values from Range AN4:AN8 are copied, otherwise this flux is zero. · Zone 5 to Zone 4 (Range AU38:AU42) – This is upward liquid flow from the lower backfill to the backfill at the upper surface of the drip shield. Negative values from Range AO4:AO8 are copied and converted to positive values, otherwise this flow is zero. Zone 5 · Zone 3 to Zone 5 (AV38:AV42) – This is downward flow from the upper backfill to the lower backfill. Positive values from Range AN4:AN8 are copied, otherwise this flow is zero. · Zone 4 to Zone 5 (Range AW38:AW42) – This is downward flow from the upper surface of the drip shield, to the lower backfill. Positive values from Range AO4:AO8 are copied, otherwise this flow is zero. · Zone 0 to Zone 5 (Range AX38:AX42) – This is inward liquid flow from the host rock into the lower backfill, calculated from mass balance. In accordance with the previous discussion of mass balance, for early times this mass flux is assigned to the gas phase so the liquid flux is zero. Negative values from Range AO82:AO83 are copied to Range AX41:AX42 and converted to positive values, otherwise this flow is zero. · Zone 6 to Zone 5 (Range AY38:AY42) – This is upward flow from the invert to the lower backfill. Negative values from Range AP4:AP8 are copied and converted to positive values, otherwise this flow is zero. Zone 6 · Zone 5 to Zone 6 (Range AZ38:AZ42) – This is downward flow from the lower backfill to the invert. Positive values from Range AP4:AP8 are copied, otherwise this flow is zero. · Zone 0 to Zone 6 (Range BA38:BA42) – This is inward flow from the host rock to the invert, calculated from mass balance. In accordance with the previous discussion of mass balance, for early times this mass flux is assigned to the gas phase so the liquid flux is ANL-EBS-MD-000033 REV 00 ICN 1 IX-12 July 2000 zero. Negative values from Range AP82:AP83 are copied to Range BA41:BA42 and converted to positive values, otherwise this flow is zero. IX.3.8.7 Zone Outflux Conditions for Conservative Solute Modeling For analysis of each zone in the conservative solute calculation, the destination zone for outflux is not needed. Accordingly, the outfluxes for each zone, for each time period, are summed. This information is assembled in Range AU47:AZ51. Similar to the manipulations described above in Section IX.3.7, only positive outflux values are summed (any negative zone-to-zone outflux value is converted to a positive influx value for another zone). The following discussion is organized according to all possible outfluxes from each zone, listed from Zone 1 to Zone 6. For each term in the flux summations a description is given and an example is provided which corresponds to a nominal time of 5,000 yr. · Zone 1 (Range AU47:AU51) – Total outflux is the sum of positive values for: the outflux from Zone 1 to Zone 2 (e.g. max{0,AK8}), the negative influx from Zone 0 to Zone 1 (e.g. max{0,-AJ8}), and the outflux from Zone 1 to Zone 0 calculated from mass balance (e.g. max{0,AK83}). · Zone 2 (Range AV47:AV51) – Total outflux is the sum of positive values for: the outflux from Zone 2 to Zone 3 (e.g. max{0,AL8}), the negative influx from Zone 1 to Zone 2 (e.g. max{0,-AK8}), and the outflux from Zone 2 to Zone 0 calculated from mass balance (e.g. max{0,AL83}). · Zone 3 (Range AW47:AW51) – Total outflux is the sum of positive values for: the outflux from Zone 3 to Zone 4 (e.g. max{0,AM8}), the outflux from Zone 3 to Zone 5 (e.g. max{0,AN8}), and the negative influx from Zone 2 to Zone 3 (e.g. max{0,-AL8}). · Zone 4 (Range AX47:AX51) – Total outflux is the sum of positive values for: the outflow from Zone 4 to Zone 5 (e.g. max{0,AO8}), and the negative influx from Zone 3 to Zone 4 (e.g. max{0,-AM8}). · Zone 5 (Range AY47:AY51) – Total outflux is the sum of positive values for: the outflux from Zone 5 to Zone 6 (e.g. max{0,-AP8}), the negative influx from Zone 3 to Zone 5 (e.g. max{0,-AN8}), the negative influx from Zone 4 to Zone 5 (e.g. max{0,-AO8}), and the outflux from Zone 5 to the host rock (Zone 0) calculated from mass balance (e.g. max{0,AO83}). Note that in accordance with previous discussion of mass balance, for nominal times of 100, 500, and 1,000 yr the outflux from Zone 5 to the host rock is assigned to the gas phase so this liquid flux term is zero. · Zone 6 (Range AZ47:AZ51) – Total outflux is the sum of positive values for: the negative influx from Zone 5 to Zone 6 (e.g. max{0,-AZ8}), and the outflux from Zone 6 to the host rock (Zone 0) calculated from mass balance (e.g. max{0,AP83}). IX.3.8.8 Checksums on Zone Influx and Outflux Range AU56:AZ60 in Worksheet: THmodel contains checksums calculated for each zone and each time period. These checksums total the influx values in Range AT29:BB33 and Range AT38:BA42, and the outflux values in Range AU47:AZ51. The values are zero (or ANL-EBS-MD-000033 REV 00 ICN 1 IX-13 July 2000 nearly so) indicating the set of flux values assembled for the conservative solute calculation is consistent. IX.3.9 Worksheet: Gasmodel This worksheet calculates the CO2 and O2 gas fluxes and fugacities using a 1-D mass transfer model (Section 6.2 of text). Input data are given in Rows 2 through 18, and are described in Table IX-3. The following discussion pertains to Rows 24 through 40, and the accompanying plots in Rows 42 through 64. IX.3.9.1 Preliminary Calculations Time values for Rows 24 through 40, Column A are copied from Worksheet: Fracture.zavg, Range B1153:B1169. These values are converted from seconds to years in Column B (dividing by 365.25 day/ yr and 86400 sec/day). Temperature values for Column C are copied from Worksheet: Fracture.zavg, Range E1153:E1169. Fracture air mass-fraction values for Column D are copied from Worksheet: Fracture.zavg, Range E1132:E1148. This value is the zone-average for Zone 2, and is used as the minimum air mass-fraction along the vertical profile from the drift centerline to the ground surface. Maximum values for the gas-phase total mass flux are calculated in Column E using the following expression for each row (i.e. each time value): qgas = max{vertical profile of vertical flux} (IX-5) where the vertical profile of vertical flux is obtained from one row of Worksheet: Vertflux, Rows 3 through 19, and Columns C through AU. (Columns AV and beyond correspond to grid blocks that lie below the center of the emplacement drift, for the L4C4 model location.) For the L4C1 location spreadsheets, the vertical profile of vertical flux is obtained from one row of Worksheet: Vertflux, Rows 3 through 19, and Columns C through AO. The densities for dry air(rair) and saturated water vapor(rvapor) are calculated in Columns F and G, respectively, using the ideal gas law: MW RT P = r (IX-6) where r = Density of gas-phase air or water (kg/m3) P = Reference total pressure (from Cell A11) T = Absolute temperature (°K, from Column C) R = Universal gas constant (from Cell A4) MW = Molecular weight for air or water vapor (kg/m3; from Cell A2 or A3) ANL-EBS-MD-000033 REV 00 ICN 1 IX-14 July 2000 The air volume-fraction (mole fraction) equivalent to the mass-fraction from Column D, is calculated in Column H using O 2 H air air air O 2 H air air MW MW ) 1 ( MW X c + c - c = (IX-7) where Xair = Volume fraction air (also mole fraction) cair = Air mass-fraction (from Column D) and MWair and MWH2O are defined for Equation IX-4. The density of moist air is calculated from the air volume-fraction calculated in Column I, using the volume-weighted expression rgas = Xairrair + (1-Xair)rvapor (IX-8) where rair = Density of dry air from Column F (kg/m3) rvapor = Density of saturated water vapor from Column G (kg/m3) IX.3.9.2 CO2 Flux and Fugacity Calculations The coefficients of a linear mass-transfer expression for CO2 [Section 6.2.3.4, Equation (31)] are given by gas in , gas gas gas gas gas gas in , gas gas gas gas C b C a z D q C z C D m × + × = ÷ ÷ ø ö ç ç è æ f + r - f = (IX-9) where z D a gas gas f = (IX-10) ÷ ÷ ø ö ç ç è æ f + r - = z D q b gas gas gas gas (IX-11) and mgas = Mass flux or utilization rate of a gas component at depth (kg/m2-sec) fgas = Average gas-filled porosity of the UZ above the repository Dgas = Effective diffusive-dispersive mass transfer coefficient (m2 /sec) z = Repository drift depth below the ground surface (m) Cgas = Concentration of gas component (e.g. CO2) in the drift (kg/m3) Cgas,in = Concentration of gas component (e.g. CO2) at the ground surface (kg/m3) The coefficients a and b are calculated using (IX-10) and (IX-11) in Columns K and L, respectively. ANL-EBS-MD-000033 REV 00 ICN 1 IX-15 July 2000 In the following discussion, the gas concentrations (e.g. CO2) are expressed as the normalized ratio Cgas/Cgas,in. The maximum value of this concentration ratio is calculated by setting mgas = 0 in (IX-9), and rearranging so that {Cgas/Cgas,in}max = -a/b (IX-12) which is implemented in Column M. The maximum value of the mass flux, or rate of utilization at depth for a gas component, is calculated by setting Cgas = 0 in (IX-9), and rearranging so that {mgas}max = a Cgas,in (IX-13) which is implemented in Column N. The consequence of (IX-9) is that the gas concentration (e.g. CO2) depends on the mass flux, i.e. depends on the rate of consumption by chemical reactions at depth. In Columns O through U the concentration ratio (Cgas/Cgas,in) is calculated for different values of the ratio mgas/max{mgas}from 10-4 to 0.99, using the expression b a 1 } m max{ m C C gas gas in , gas gas ÷ ÷ ø ö ç ç è æ - = (IX-14) Finally, in Column V, the air mass-fraction is copied from Column D for comparison to the calculated concentration ratios. IX.3.9.3 O2 Flux and Fugacity Calculations The entire set of calculations performed for CO2 in Columns K through V, is repeated for O2 in Columns X through AI. The calculations are identical except some input data are different, namely Dgas, and Cgas,in which are specified in Rows 9 and 18, respectively, of Worksheet: Gasmodel. IX.3.10 Worksheet: CHEMprobL4C4upper This worksheet prepares information for direct application in chemical modeling, including fluxes, temperatures, liquid masses, and evaporation factors for composite zones. The composite zones are defined as: · Zone 1/2 – Composite of Zone 1 and Zone 2, representing the host rock above the drifts. · Zone 3/4 – Composite of Zone 3 and Zone 4, representing the upper backfill, and the backfill at the surface of the drip shield · Zone 5/6 – Composite of Zone 5 and Zone 6, representing the lower backfill and the invert ANL-EBS-MD-000033 REV 00 ICN 1 IX-16 July 2000 First, the nominal time for each Time Period is copied from Worksheet: THmodel, Range J4:J8, to Range A7:A11. Similarly, the endpoints of the time periods are copied from the same worksheet, Ranges K4:K8 and L4:L8, to Ranges F7:F11 and G7:G11, respectively. CO2 and O2 Gas Fugacities Reference fugacities for CO2 and O2 in the gas phase at the ground surface, are shown in Columns D and E, copied from input data in Cells A12 and A13, respectively, of Worksheet: Gasmodel. The maximum fugacity ratios for CO2 and O2 at depth (i.e. maximum fugacities from [IX- 12], normalized to the reference fugacities at the ground surface) for each time period are shown in Columns B and C, respectively. These are copied from Worksheet: Gasmodel, Columns M and Z. Only values for the nominal times shown in Column A are copied (i.e. only from Worksheet: Gasmodel, Rows 25, 29, 31, 33, and 37). The maximum estimated CO2 and O2 fugacities are computed in Columns H and J, respectively, by multiplying the reference fugacities in Columns D and E, by the maximum fugacity ratios in Columns B and C. The base-10 logarithms of the CO2 and O2 fugacities are calculated in Columns I and K, respectively. Air Mass-Fraction The zone-averaged air mass-fraction values for Zone 4 are copied from Worksheet: Gasmodel, Column D, to Range L7:L11. Only values for the nominal times shown in Column A are copied (i.e. only from Worksheet: Gasmodel, Rows 25, 29, 31, 33, and 37). IX.3.10.1 Zone 0 The only additional information needed to model water composition in Zone 0 are the zoneaveraged temperature data in Column N, which are copied from Worksheet: THmodel, Range AT20:AT24. IX.3.10.2 Zone 1/2 The liquid influx to composite Zone 1/2 is copied to Column P, from Worksheet: THmodel, Range AT4:AT8. This result is the flux from Zone 0 to Zone 1, calculated by NUFT. Liquid flux into Zone 1/2 is positive. The net vapor flux to composite Zone 1/2 is computed in Column Q, from the sum of vapor influx to Zone 1 (Worksheet: THmodel, Range AK96:AK100) and vapor influx to Zone 2 (Worksheet: THmodel, Range AL96:AL100). Note that the vapor fluxes between Zone 1 and Zone 2 (and vice versa) cancel in this sum. Vapor flux into Zone 1/2 is positive. ANL-EBS-MD-000033 REV 00 ICN 1 IX-17 July 2000 The liquid mass in composite Zone 1/2 is calculated in Column R, from the sum of liquid mass in Zone 1 (Worksheet: THmodel, Range AU12:AU16) and liquid mass in Zone 2 (Worksheet: THmodel, Range AV12:AV16). The liquid outflux from composite Zone 1/2 is calculated in Column S, from the sum of the liquid outflow from Zone 1 back to Zone 0 (Worksheet: THmodel, Range AK79:AK83), plus liquid outflow from Zone 2 back to Zone 0 (Worksheet: THmodel, Range AL79:AL83), plus the liquid outflow from Zone 2 to Zone 3 (Worksheet: THmodel, Range AV4:AV8). The signs are all adjusted so that outflux from Zone 1/2 is negative. The evaporative concentration factor for composite Zone 1/2 is calculated in Column T using the expression 1 in , liquid in , vapor q q 1 f - ÷ ÷ ø ö ç ç è æ + = (IX-15) where qvapor,in = Gas-phase water vapor mass flux from Column Q qliquid,in = Liquid-phase water mass flux from Column P The temperature for composite Zone 1/2 is calculated in Column U, based on an average of the zone-averaged temperatures for Zone 1 and Zone 2. The average is weighted by the liquid mass in each zone: 2 1 2 2 1 1 2 / 1 m m m T m T T + + = (IX-16) where T1,T2 = Temperatures for Zones 1 and 2, from Worksheet: THmodel, Ranges AU20:AU24 and Range AV20:AV24, respectively. m1,m2 = Liquid masses for Zones 1 and 2, from Worksheet: THmodel, Ranges AU12:AU16 and Range AV12:AV16, respectively. A mass balance checksum for composite Zone 1/2 is calculated in Column V, by summing the liquid influx, vapor flux, and liquid outflux from Columns P, Q, and S, respectively. The values should be zero (or nearly so) indicating that the mass fluxes into and out of the zone are balanced in each time period. Finally, a through-flux from composite Zone 1/2 back to the host rock (diverted around the drift opening) is calculated in Column W, by taking the sum of the liquid outflow from Zone 1 back to Zone 0 (Worksheet: THmodel, Range AK79:AK83), and liquid outflow from Zone 2 back to Zone 0 (Worksheet: THmodel, Range AL79:AL83). This result is calculated for use in computing the CO2 budget. ANL-EBS-MD-000033 REV 00 ICN 1 IX-18 July 2000 IX.3.10.3 Zone 3/4 The liquid influx to composite Zone 3/4 is copied to Column Y from Worksheet: THmodel, Range AV4:AV8. This is the liquid flux from Zone 2 to Zone 3. Liquid flux into Zone 3/4 is positive. The net vapor flux to composite Zone 3/4 is computed in Column Z, from the sum of vapor influx to Zone 3 (Worksheet: THmodel, Range AM96:AM100) and vapor influx to Zone 4 (Worksheet: THmodel, Range AN96:AN100). Note that the vapor fluxes between Zone 3 and Zone 4 (and vice versa) cancel in this sum. Vapor flux into Zone 3/4 is positive. The liquid mass in composite Zone 3/4 is calculated in Column AA, from the sum of liquid mass in Zone 3 (Worksheet: THmodel, Range AW12:AW16) and liquid mass in Zone 4 (Worksheet: THmodel, Range AX12:AX16). The liquid outflux from composite Zone 3/4 is calculated in Column AB from the sum of the liquid outflow from Zone 3 to Zone 5 (Worksheet: THmodel, Range AX4:AX8), plus liquid outflow from Zone 4 to Zone 5 (Worksheet: THmodel, Range AY4:AY8). The signs are adjusted so that outflux from Zone 3/4 is negative. The evaporative concentration factor for composite Zone 3/4 is calculated in Column AC using (IX-15), where qvapor,in is from Column Z, and qliquid,in is from Column Y. Note that for Time Period 1 and Time Period 2 there is zero liquid outflux so this factor is not defined. The temperature for composite Zone 3/4 is calculated in Column AD as a weighted combination of the zone-averaged temperatures for Zone 3 and Zone 4. They are weighted by the liquid mass in each zone using (IX-16). Temperatures T3 and T4 are from Worksheet: THmodel, Range AW20:AW24 and Range AX20:AX24, respectively. Liquid masses m3 and m4 are from Worksheet: THmodel, Range AW12:AW16 and Range AX12:AX16, respectively. Note that for Time Period 1 there is no liquid mass, so a temperature is calculated from the arithmetic average of Zone 3 and Zone 4 temperatures (chemical calculations are not performed for this time period so this temperature value is not used in subsequent calculations). A mass balance checksum for composite Zone 3/4 is calculated in Column AE, by summing the liquid influx, vapor flux, and liquid outflux from Columns Y, Z, and AB, respectively. The values should be zero (or nearly so) indicating that the mass fluxes into and out of the zone are balanced in each time period. IX.3.10.4 Zone 5/6 The liquid influx to composite Zone 5/6 is computed in Column AG, and is the sum of the flux from Zone 3 to Zone 5 (copied from Worksheet: THmodel, Range AX4:AX8) and the flux from Zone 4 to Zone 5 (copied from Worksheet: THmodel, Range AY4:AY8). Liquid flux into Zone 5/6 is positive. ANL-EBS-MD-000033 REV 00 ICN 1 IX-19 July 2000 The net vapor flux to composite Zone 5/6 is computed in Column AH, and is the sum of the net vapor flux to Zone 5 (copied from Worksheet: THmodel, Range AO96:AO100) and the net vapor flux to Zone 6 (copied from Worksheet: THmodel, Range AP96:AP100). Vapor flux into Zone 5/6 is positive. Note that there is zero net flux of vapor for Time Period 1 and Time Period 2, and that for Time Period 3 the vapor flux is equivalent to the liquid influx, i.e. complete evaporation. The liquid mass in composite Zone 5/6 is calculated in Column AI, from the sum of liquid mass in Zone 5 (Worksheet: THmodel, Range AY12:AY16) and liquid mass in Zone 6 (Worksheet: THmodel, Range AZ12:AZ16). Note that for Time Period 1 and Time Period 2, there is no liquid mass predicted for composite Zone 5/6. The liquid outflux from composite Zone 5/6 is calculated in Column AJ from the sum of the liquid outflow from Zone 5 back to Zone 0 (Worksheet: THmodel, Range AO82:AO83), plus liquid outflow from Zone 6 back to Zone 0 (Worksheet: THmodel, Range AP82:AP83). The signs are adjusted so that outflux from Zone 5/6 is negative. Note that for Time Period 1 through Time Period 3, zero liquid outflux is predicted, and the flux residuals are assigned to the gas phase (see previous discussion). The evaporative concentration factor for composite Zone 5/6 is calculated in Column AK using (IX-15). Note that for Time Period 1 through Time Period 3, there is zero liquid outflux so this factor is not defined. The temperature for composite Zone 5/6 is calculated in Column AL as a weighted combination of the zone-averaged temperatures for Zone 5 and Zone 6. They are weighted by the liquid mass in each zone using (IX-16). Temperatures T5 and T6 are from Worksheet: THmodel, Range AY22:AY24 and Range AZ22:AZ24, respectively. Liquid masses m5 and m6 are from Worksheet: THmodel, Range AY14:AY16 and Range AZ14:AZ16, respectively. Note that for Time Period 1 and Time Period 2 there is zero liquid mass, so a temperature is calculated from the arithmetic average of Zone 5 and Zone 6 temperatures (chemical calculations are not performed for these time periods so these temperature values are not used in subsequent calculations). A mass balance checksum for composite Zone 5/6 is calculated in Column AM, by summing the liquid influx, vapor flux, and liquid outflux from Columns AG, AH, and AJ, respectively. The values should be zero (or nearly so) indicating that the mass fluxes into and out of the zone are balanced in each time period. Finally, a through-flux from composite Zone 5/6 back to the host rock is calculated in Column AN by taking the sum of the liquid outflow from Zone 5 back to Zone 0 (Worksheet: THmodel, Range AO82:AO83), and liquid outflow from Zone 6 back to Zone 0 (Worksheet: THmodel, Range AP82:AP83). This result is calculated for use in computing the CO2 budget. For Time Period 1 through Time Period 3, there is zero liquid outflux so these through-flux values are set to zero. ANL-EBS-MD-000033 REV 00 ICN 1 IX-20 July 2000 IX.3.11 Worksheet: Steel This worksheet uses temperature and RH values from Worksheet: THmodel, along with input based on chemical calculations described in the text, to estimate corrosion rates for steel used in the emplacement drifts, and potential for O2 consumption. Laboratory-measured rates for humidity-corrosion of steel coupons are used, and the coefficients of the function fitted by these authors to the corrosion data are entered in Rows 4 through 7. The functional form of the fitting equation is shown in Cell A9. Input data for Worksheet: Steel are shown in Table IX-4. The following discussion pertains to Rows 27 through 33, which correspond to Time Periods 1, 2, 3A, 3B, 4A, 4B, and 5, respectively. Column B shows the nominal time assigned to each time period, and is copied from Worksheet: THmodel, Range J4:J8. Note that for thermal-hydrologic input copied from other worksheets, the values for Time Periods 3A and 3B are copied from Time Period 3, and the values for Time Periods 4A and 4B are copied from Time Period 4. Columns C and D give the beginning and ending of each time period, using data copied from Worksheet: THmodel, Columns K and L. Note that Time Period 3 and Time Period 4 are broken up into 3A, 3B, 4A, and 4B using the durations defined in Cells G11 and G12. IX.3.11.1 Zone 3/4 Column G contains liquid masses for composite Zone 3/4, copied from Worksheet: CHEMprobL4C4upper, Range AC7:AC11. Column H contains the average temperature for composite Zone 3/4, copied from Worksheet: CHEMprobL4C4upper, Range AF7:AF11. The RH for composite Zone 3/4 is copied to Column L, from Worksheet: THmodel, Range AM124:AM128. The pH and chloride concentration are calculated using a chemical modeling code, as discussed in the text of the report (Section 6.7). The values are entered manually in Columns I and J, from the tables included in the text of the section. The chloride concentration is converted to equivalent NaCl concentration, which is bounding because the molality of Na greatly exceeds that of chloride, in the calculated water compositions. The formula for converting to weight-percent NaCl in Column K is ) MW ) Cl ( 1000 ( MW ) Cl ( 100 C NaCl NaCl NaCl - - + = (IX-17) where (Cl-) = Chloride concentration (molal) MWNaCl = Molecular weight of NaCl (35.45+22.99 = 58.44 g/mole) The corrosion penetration rate is calculated in Column M using the formula shown in Cell ANL-EBS-MD-000033 REV 00 ICN 1 IX-21 July 2000 A9. This equation is (CRWMS M&O 2000b, p.1) is given by: ÷ø ö çè æ + + + + - - = NaCl 3 2 1 0 crit crit C b pH b 273 T b 1000 b exp RH RH ) RH RH , 0 min{ r (IX-18) where RH = Relative humidity from Column L RHcrit = Threshold RH for steel corrosion from Cell G10 b0,b1,b2,b3 = Coefficients of fit to corrosion data, from Range A4:A7 T = Temperature (°C) from Column H pH = Solution pH from Column I In Column N the mass rate of corrosion is calculated from r = Ar r Fe , mass (IX-19) where A = Area of exposed steel in composite Zone 3/4 (m2/m; from Cell G15) r = Density of steel (kg/m3) from Cell G14 The time to complete corrosion of the steel in composite Zone 3/4, based on uniform corrosion for which the rate does not depend on the corrosion extent, is calculated in Column O from the ratio of the mass (Cell G18) to the mass rate of corrosion (Column N). Note that for Time Period 1 and Time Period 2, the humidity is too low for corrosion so the rates in Column N are zero, and the time to complete corrosion is not defined. Finally, the rate of oxygen consumption is calculated in Column P, using the mass rate of steel corrosion from Column N: Fe Oxygen Fe , mass O , mass MW MW r 5 . 1 r = (IX-20) where MWOxygen = Formula weight of monatomic oxygen (15.9994 g/mole) MWFe = Formula weight of iron (55.847 g/mole) The rate of oxygen consumption (rmass,O) is converted to kg per year, per meter of drift, for comparison to fluxes calculated by the Gas Flux and Fugacity Model, as discussed below. IX.3.11.2 Zone 5/6 Column R contains liquid masses for composite Zone 5/6, copied from Worksheet: CHEMprobL4C4upper, Range AK7:AK11. Column S contains the average temperature for composite Zone 5/6, copied from Worksheet: CHEMprobL4C4upper, Range AN7:AN11. The RH for composite Zone 5/6 is copied to Column W, from Worksheet: THmodel, Range AP124:AP128. ANL-EBS-MD-000033 REV 00 ICN 1 IX-22 July 2000 The pH and chloride concentration values are entered manually in Columns T and U from tables included in the text (Section 6.7). In Column V the chloride concentration is converted to equivalent NaCl concentration, in weight-percent NaCl, using (IX-17). Note that for Time Period 3, RH in Zone 5/6 is high enough to support steel corrosion, but no water composition is calculated by the model. Accordingly, the water composition from Zone 3/4 during this same time period, which flows into Zone 5/6, is used and Range I29:J30 is copied into Range T29:U30. The corrosion penetration rate is calculated in Column X using the formula shown in Cell A9 and implemented in (IX-18). In Column Y the mass rate of corrosion is calculated using (IX- 19). The time to complete corrosion of the steel in composite Zone 5/6 is calculated in Column Z from the ratio of the mass (Cell G19) to the mass rate of corrosion (Column Y). Note that for Time Period 1 and Time Period 2, the humidity is too low for corrosion so the rates in Column Y are zero, and the time to complete corrosion is not defined. Finally, the rate of oxygen consumption is calculated in Column AA, from the mass rate of steel corrosion in Column Y, using (IX-20). The rate of oxygen consumption (rmass,O) is converted to kg per year, per meter of drift. IX.3.11.3 Summary of O2 Consumption The total consumption of oxygen calculated for both composite Zones 3/4 and 5/6 is calculated in Column AC, by summing Columns P and AA. The maximum flux of oxygen available is calculated in Column AD, by multiplying the appropriate value for the limiting oxygen gas flux from Worksheet: Gasmodel, Range AA25:AA37, by the drift diameter (Cell G13). IX.4 VALIDATION BY HAND CALCULATION Many of the data fields in these spreadsheet routines are simply copied from other locations (or entered manually) and are verified by comparing the values of the output file to the values in the EXCEL spreadsheet . For calculation cells, validation is accomplished by comparison of calculated results to hand calculations. The following sections provide for each worksheet, and for each type of calculation cell, an example hand-calculation using the equations listed previously. The results are compared quantitatively to the spreadsheet values. In every instance the hand-calculated results agree with the the spreadsheet values, with minor differences attributed to round-off. Statement of Applicability This routine is valid for any physically realizable combination of input data. In other words, the results from the routine are equally valid for any realistic repository dimensions and operating perameters. However, there are two principal limitations to applicability: 1) the definition of the time periods (Worksheet: THmodel, Columns J, K, and L) should be suitable for representing the time-evolution of temperature, fluxes, and humidity conditions; and 2) the correlation model used to calculate the corrosion rate for steel, may not be applicable to all possible repository environmental conditions. It is important to note that ANL-EBS-MD-000033 REV 00 ICN 1 IX-23 July 2000 accumulation of precipitates and salts in the EBS (as described by the data assembled in Worksheet: THmodel) is directly related to, and strongly sensitive to, the duration of the time periods. Accordingly, the calculated accumulation is an estimate of potential accumulation. IX.4.1 Worksheet: Matrix.zavg The data in this worksheet are copied verbatim from the *.zavg files generated by software routine ZONEAVG V1.2 in Attachment I, and are verified bycomparing the values in the output to the values in the worksheet. The values match the source data exactly. IX.4.2 Worksheet: Fracture.zavg The data in this worksheet are copied verbatim from the *.zavg files generated by software routine ZONEAVG V1.2, and are verified by comparing the values in the output to the values in the worksheet. The values match the source data exactly. IX.4.3 Worksheet: Zone.fluxes The data in this worksheet are copied verbatim from the *.exl file, for which the file name is listed in Cell A1. The *.exl files are generated by the software routine MYPLOT V1.1. Rows of data values are selected from the source file, to correspond with specific simulation times shown in Column A, and copied directly into the worksheet. These values are verified by comparing the values in the output to the values in the worksheet, and match the source data exactly. IX.4.4 Worksheet: Vertflux The data in this worksheet are copied verbatim from the *.vflux file, for which the file name is listed in Cell E2. The *.vflux files are generated by the software routine VFLUXPROF V1.1. Rows of data values are copied directly into the worksheet, and verified by comparing the values in the output to the values in the worksheet. The values match the source data exactly. IX.4.5 Worksheet: Zone.volume The calculated data in this worksheet are in Columns D, I, J, K, L, O, and P. These calculations use the basic formula for porosity (CRWMS M&O 2000g, p. 17) to calculate void volume based upon void volume for each zone. The porosities for fractures and matrix at the repository horizon are presented in Tables 4 and 5.Table 11 presents the porosity for the natural and engineered barrier system materials. The zone volume summations in Column C are verified using the basic formula for porosity presented above, as shown in Table IX-2. The other calculated data are summarized by Columns L and P. Hand calculations of the total void volume (Column L) and total solid mass (Column P) are also compared with spreadsheet values in Table IX-2. The hand-calculated values agree exactly with the spreadsheet values in this table. ANL-EBS-MD-000033 REV 00 ICN 1 IX-24 July 2000 IX.4.6 Worksheet: Vapor Pres. This worksheet includes only two calculation operations : conversion of pressure units from mm Hg to atm, and curve fitting using the built-in “Add Trendline” function of Excel 97. The pressure unit conversion is verified by simple hand calculation using the conversion factor, and the trendline fit (Eq. IX-1) is verified from the Figure IX-1, obtained directly from the spreadsheet. IX.4.7 Worksheet: Evap This worksheet includes calculations in Columns S, T, U, and W. These are verified by hand calculation, for a representative time step, in Table IX-5. Use of a representative time (1,000 yr) is justified because the formulae for all time steps are exact replicates (with automatically incremented row indices). All the hand calculations in Table IX-5 agree closely with the spreadsheet values. Column S is the summation of evaporation in each zone. The evaporation rate, expressed as mass per unit volume per unit length of drift, for each zone, is shown in Columns C through I (matrix continuum) and Columns L through R (fracture continuum). The zone volumes are shown in the same columns, in Row D. In Column S, the product of the evaporation rate for each zone, times the zone volume, is summed for all zones and both continua. Each product is compared to zero, so that negative values are not summed. The results are in units of kg water per meter of drift. Comparison of the spreadsheet value with hand-calculated results, for the 1000-yr nominal time, is shown in Table IX-5. In Column T the evaporation rates are converted to units of Watts per meter of drift, by multiplying the rates from Column S, by the heat of vaporization at a nominal boiling temperature of 100°C (2,257 kJ/kg; Incropera and DeWitt, 1996, p. 846). Note that the result is multiplied by 2 to represent the full drift, whereas all NUFT-generated data are for the half-drift symmetry models. The results are converted units of Joules per second per meter of drift, and are compared with hand-calculations in Table IX-5. In Column U the nominal time is converted from seconds to years. This calculation is verified by comparing the hand calculation for the simple conversion from seconds to years to the calculated value in the spreadsheet. In Column W the evaporation power from Column T, is converted to a percentage of the thermal input power used in NUFT models (expressed in Watts per meter of drift; full drift basis) DTN SN9907T0872799.001 file: “heatTSPA-SR-99184-Ta.xls worksheet: DRFTScale (2-D models). The results are compared with hand calculations in Table IX-5. IX.4.8 Worksheet: THmodel Much of this worksheet, from Columns A through BB, consists of data copied from other worksheets. The accuracy of these data is verified by comparing the values in the respective worksheets to the values presented in this worksheet as discussed below. In addition, there are some calculated data which are verified by hand calculation as discussed below. Hand ANL-EBS-MD-000033 REV 00 ICN 1 IX-25 July 2000 calculations are performed to verify accurate implementation, for one representative time step (1000 yr). Use of a representative time step is justified because the formulae for all time steps are replicates (with automatically incremented row indices). The values from the simple hand calculations in Table IX-6 agree closely with the spreadsheet values. In Range AK70:AP75 the total mass of liquid water (Mi) in each zone is calculated based on Equation (IX-2) with volumes (Vf,i, Vm,i) and saturations (Sf,i, Sm,i) calculated in the following manner. The volumes are calculated in the worksheet Zone fluxes. The saturations are calculated from the mass of water in worksheet Thmodel, and the Zone.Volume worksheet. The void volume is multiplied by the saturation, for both the fracture and matrix continua within each zone. The results are added to yield the total liquid, which is converted to mass units assuming 103 kg/m3 for water. These are verified by hand calculation, for a representative time step, in Table IX-6. In Range AK79:AP84 the residual mass fluxes are calculated based on the zone-to-zone liquid and gas-phase water fluxes reported by NUFT and copied to columns A through H, from which data are copied to Ranges AJ4:AP9 and AJ13:AP18, respectively. The fluxes into each zone are added, and the fluxes out of the each zone are subtracted, to computed the residual as shown in Equation (IX-3). The results are in units of kg water per meter of drift. The spreadsheet results are compared with hand calculations utilizing Equation (IX-3) with zone fluxes for water and water vapor from Worksheet Zone fluxes, for a representative time (1000 yr) in Table IX-6. In Ranges AK96:AP101 and AK105:AP110, the respective net vapor and liquid fluxes into each zone are calculated, adjusted for the residuals calculated above. For each zone the calculated value is either the gas-phase, or the liquid-phase, component of the residual calculated in Range AK79:AP84. In addition, the calculated residual values are assigned to the net fluxes as discussed in Section IX.3.8, and the assignments vary for the different cases run (L4C4 and L4C1 locations; “upper” and “lower” infiltration). For the L4C4 location and the “upper” infiltration, for Time Period 1 through Time Period 3 the residual is assigned to (subtracted from) the gas-phase, and for Time Period 4 and Time Period 5 the residual is assigned to (subtracted from) the liquid-phase. The results are in units of kg water per meter of drift. The spreadsheet results are compared with hand calculations, for a representative time (1000 yr) in Table IX-6. In Range AK114:AP119 the residuals are recalculated by summing the net vapor and liquid fluxes for each zone, and the results are zero (or nearly so). Relative humidity for each zone is calculated from the temperature and air mass-fraction, in Range AK124:AP129, using Equation (IX-4) presented above for RH. The total pressure (PT) is calculated in Cell AK134, and is the average of the boundary pressures used at the ground surface and the water table, in the NUFT model. The saturated vapor pressure (P* H2O) is calculated from the temperature in Range AK22:AP27 using Equation (IX-1). Note that the vapor pressure function is not supported by data for temperatures greater than 95°C, so the RH calculated at early time when temperatures exceed boiling is not accurate. Also, for certain conditions the RH may be calculated to exceed unity, even for temperatures less than boiling. This probably occurs because the air mass-fraction value reported by NUFT actually corresponds to a total pressure that is greater than the reference value in Cell AK134. The air ANL-EBS-MD-000033 REV 00 ICN 1 IX-26 July 2000 mass-fraction (cair) is obtained from Range AK31:AP36. The spreadsheet results are compared with hand calculations, for a representative time (1000 yr) in Table IX-6. Zone-to-zone non-negative fluxes are compiled for the conservative solute analysis in Range AT38:BA42, and Range AU47:AZ51. Each value is compared to zero, such that only positive values are retained (negative values imply fluxes in the opposite direction, which belong in another column). The spreadsheet results are compared with hand calculations, for a representative time (1000 yr) in Table IX-6. IX.4.9 Worksheet: Gasmodel Much of this worksheet, specifically Rows 2 through 18, and Columns A, B, C, D, V, and AI, consists of data copied from other worksheets and sources. The accuracy of these data is verified by comparing the values in the other worksheets to the values in this worksheet, and demonstrating that the results are identical. Calculations performed for the other columns are verified by hand calculation as discussed below. In the discussion all references to columns are for Rows 24 through 40 only. Hand calculations are performed to verify accurate implementation, for one representative time step (1000 yr). Use of a representative time step is justified because the formulae for all time steps are replicates (with automatically incremented row indices). All the hand calculations as presented in Table IX-7, and as discussed below agree closely with the spreadsheet values. Column E contains the maximum value of the vertical component of the gas-phase total mass flux (air + water vapor), for each time step using the EXCEL maximum value function as obtained from the Vert.flux worksheet. Comparison of the spreadsheet value with a handcalculated result is shown in Table IX-7. Columns F and G contain the calculated densities for dry air (rair), and saturated water vapor (rvapor), respectively, calculated from the Ideal Gas Law using Eq. (IX-6). The input temperature (T) is obtained from Column C, and the total pressure (P), gas constant (R), and molecular weights are obtained from among the constants in Rows 2 through 18. Comparison of the spreadsheet values with hand-calculated results is shown in Table IX-7. The air volume-fraction corresponding to the minimum (Zone 4) air mass-fraction in Column D, is calculated in Column H using Eq. (IX-7) from the air mass fraction (cair), and the molecular weights for air (MWair) and water (MWH2O) . The volume-averaged density of moist air is calculated in Column I, using Eq. (IX-8) Comparison of spreadsheet values with hand-calculated results is shown in Table IX-7. Coefficients a and b, for the gas-phase mass transfer function Eq. (IX-9) for CO2, are calculated in Columns K and L using Eq. (IX-10) and Eq. (IX-11). The maximum concentration ratio (Cgas/Cgas,in) for CO2 is calculated in Column M, using Eq. (IX-12). The maximum mass flux for CO2 is calculated in Column N, using Eq. (IX-13). Spreadsheet values for these calculations are compared with hand-calculated results in Table IX-7. The CO2 concentration, normalized by the maximum concentration at the ground surface (Cgas/Cgas,in), is calculated in Columns O through U, using Eq. (IX-14). Each column shows ANL-EBS-MD-000033 REV 00 ICN 1 IX-27 July 2000 the concentration ratio for a different value of the mass flux ratio, i.e. the consumption rate of CO2 at depth, normalized by the maximum flux. The mass flux ratio values for each column are given in Row 22. Spreadsheet values for these calculations are compared with handcalculated results in Table IX-7. Coefficients a and b, for the gas-phase mass transfer function (IX-9) for O2, are calculated in Columns X and Y using Eq. (IX-10) and Eq. (IX-11). The maximum concentration ratio (Cgas/Cgas,in) for O2 is calculated in Column Z, using Eq. (IX-12). The maximum mass flux for O2 is calculated in Column AA, using Eq. (IX-13). Spreadsheet values for these calculations are compared with hand-calculated results in Table IX-7. The O2 concentration, normalized by the maximum concentration at the ground surface (Cgas/Cgas,in), is calculated in Columns AB through AH, using Eq. (IX-14). Each column shows the concentration ratio for a different value of the mass flux ratio, i.e. the consumption rate of O2 at depth, normalized by the maximum flux. The mass flux ratio values for each column are given in Row 22. Spreadsheet values for these calculations are compared with hand-calculated results in Table IX-7. IX.4.10 Worksheet: CHEMprobL4C4upper This worksheet is named differently for each of the cases considered (L4C4 and L4C1 locations; “upper” and “lower” infiltration). The following discussion pertains directly to the L4C4/upper case (file: “th+gas_model-L4C4—04.xls”) but applies to the others also. Columns A through G (Worksheets Gasmodel, and THmodel), L (Worksheet Gasmodel), P (Worksheet THmodel), and R (Worksheet THmodel) present the values for the nominal times, CO2, and O2 fugacity ratios, reference CO2, and O2 fugacity and simulation times. The values in this worksheet are verified are verified by comparing the values to source worksheets listed above. Calculations performed for the partial pressure of CO2 (PCO2) and O2(PO2) are verified by hand calculation as discussed below. All hand-calculation results agree closely with spreadsheet values. The estimated PCO2 is calculated in Column H by multiplying the reference CO2 fugacity (Cgas,in which is an independent datum) from Column D, by the maximum CO2 fugacity ratio (Cgas/Cgas,in) from Column B. The log10 of PCO2 is calculated in Column I. Similarly, the estimated PO2 is calculated in Column J, using the reference O2 fugacity in Column E, and the maximum O2 fugacity ratio in Column C. The maximum fugacities (without decreases from consumption) are used in this worksheet. Spreadsheet results for the 1000-yr time step are compared to hand-calculated values in Table IX-8. Use of a representative time step for these results is justified because the formulae for all time steps are replicates (with automatically incremented row indices). Column S contains the sum of vapor influx to Zones 1 and 2, which constitute composite Zone 1/2. Similarly, Column T is the sum of liquid masses in the zones. Column U is the liquid outflux from Zone 1/2, computed from the sum of the flux from Zone 2 to 3 (Worksheet: THmodel, Range AV4:AV8), plus the residuals representing outflow from Zones 1 and 2 back to the host rock (Range AK79:AK83 and Range AL79:AL83, ANL-EBS-MD-000033 REV 00 ICN 1 IX-28 July 2000 respectively). Column V is the evaporative concentration factor for Zone 1/2, computed using Eq. (IX-15). Column W is the temperature of Zone 1/2, computed from the zoneaverages both zones weighted by the liquid mass in each zone according to Eq. (IX-16). Spreadsheet results for the 1000-yr time step are compared to hand-calculated values in Table IX-8. Use of a representative time step for these results is justified because the formulae for all time steps are replicates. Column AB contains the sum of vapor influx to Zones 3 and 4, which constitute composite Zone 3/4. Similarly, Column AC is the sum of liquid masses in the zones. Column AD is the liquid outflux from Zone 3/4, computed from the sum of the flux from Zone 3 to 5 (Worksheet: THmodel, Range AX4:AX8) plus the flux from Zone 4 to 5 (Worksheet: THmodel, Range AY4:AY8). Column AE is the evaporative concentration factor for Zone 3/4, computed using Eq. (IX-15). Column AF is the temperature of Zone 3/4, computed from the zone-averages both zones weighted by the liquid mass in each zone according to Eq. (IX- 16). For early time (100 yr in Table IX-8) the temperature is calculated from a simple average of the two zoes. Spreadsheet results are compared to hand-calculated values in Table IX-8. Column AI is the liquid influx to composite Zone 5/6, computed from the sum of the inflow from Zones 3 and 4, to Zone 5. Column AJ contains the sum of vapor influx to Zones 5 and 6. Similarly, Column AK is the sum of liquid masses in the zones. Column AL is the liquid outflux from Zone 5/6, computed from the sum of the residuals representing outflow from Zones 5 and 6 back to the host rock (Range AO79:AO83 and Range AP79:AP83, respectively). Column AM is the evaporative concentration factor for Zone 5/6, computed using Eq. (IX-15). Column AN is the temperature of Zone 5/6, computed from the zoneaverages both zones weighted by the liquid mass in each zone according to Eq. (IX-16). Spreadsheet results are compared to hand-calculated values in Table IX-8. IX.4.11 Worksheet: Steel The source data for Columns A through E is obtained from Worksheet THmodel. The source data for Columns G through H is obtained from Worksheet CHEMprobl4c4lower. The source data for Columns I and J that is the pH, and the Chloride (Cl-) concentration is obtained from the results of the EQ3/E6 analysis as presented in the file CHEMprobl4c4upper.xls as presented in Attachment I.The values in this worksheet are verified by comparison with the source worksheets as identified above. The weight-percent NaCl in Column K is obtained from Equation (IX-17) based upon the molecular weight of NaCL, and the Cl- in Column J. The source data for the RH in Column L is obtained from the THmodel worksheet. Calculations performed for the other columns are verified by hand calculation as discussed below. The penetration rate of steel corrosion is calculated in Column M, using Eq. (IX-18), along with input data in Columns H, I, and K, and input data from Rows 4 through 7, and Row 10. The mass rate of corrosion is calculated in Column N, using Eq. (IX-19). The corresponding elapsed time to complete depletion of the steel by corrosion is calculated in Column O, from the ratio of the total mass (Cell G18) to the mass rate of corrosion. The corresponding rate of oxygen consumption by steel corrosion in Zone 3/4 is calculated in Column P, using Eq. (IX-20). Spreadsheet results are compared to hand ANL-EBS-MD-000033 REV 00 ICN 1 IX-29 July 2000 calculated values using the equations presented above in Table IX-9. All hand-calculation results agree closely with spreadsheet values. In addition, Columns R through AA have the same formulae, with different input data, as Columns G through P, which is verified by comparing the results of hand calculations to the spreadsheet calculations. Accordingly, the following discussion pertains directly to Columns G through P, and also applies to Columns R through AA. The total O2 consumption rate for Zone 3/4 and Zone 5/6 is computed in Column AC, and is the sum of Columns P and AA. The maximum 1-D flux of O2 into the drift opening is calculated in Column AD,multiplying the maximum flux value from Worksheet: Gasmodel (Column AA) by the drift diameter. Columns AC and AD are verified by comparing the hand calculation to the value in the spreadsheet. ANL-EBS-MD-000033 REV 00 ICN 1 IX-30 July 2000 Table IX-1 Time Periods for the EBS Physical and Chemical Environment Model. Time Period Nominal (yr) From (yr) To (yr) 1 100 50 300 2 500 300 700 3 1000 700 1500 4 2000 1500 2500 5 5000 2500 10000 Table IX-2. Rows Corresponding to Each Zone, in Worksheet: Zone.volume, with Verification by Hand-Calculation of Values for the L4C4 Location Zone # Rows for L4C4 Location Rows for L4C1 Location Spreadsheet Volume (Cell) Hand Calc. Volume Spreadsheet Void Vol. (Cell) Hand Calc. Void Volume Spreadsheet Solid Mass (Cell) Hand Calc. Solid Mass 1 19 to 330 20 to 359 642.5226 (D330) 642.52264 91.2382 (L330) 91.238 1.632E+06 (P330) 1.6320E+06 2 331 to 346 360 to 375 1.7308 (D346) 1.7307756 0.2458 (L346) 0.24577 4.396E+03 (P346) 4396.1 3 347 to 411 376 to 440 6.2761 (D411) 6.2760807 2.5732 (L411) 2.5732 8.473E+03 (P411) 8472.7 4 412 to 415 441 to 444 0.5869 (D415) 0.5868979 0.2406 (L415) 0.24063 7.923E+02 (P415) 792.31 5 416 to 420 445 to 449 1.2913 (D420) 1.29134 0.5294 (L420) 0.52945 1.743E+03 (P420) 1743.3 6 421 to 426 450 to 455 0.7668 (D426) 0.7668021 0.4179 (L426) 0.41791 9.635E+02 (P426) 963.49 ANL-EBS-MD-000033 REV 00 ICN 1 IX-31 July 2000 Table IX-3 Input data settings for the Worksheet: Gasmodel Input Value Description 0.02896 Equivalent molecular weight of air (kg/mole; Weast and Astle, 1981; p. F-12) 0.01801 Molecular weight of water (kg/mole; Weast and Astle, 1981; p. B-105) 8.307 Universal gas constant (Pa m3/mole K; calculated from the ideal gas law [R=PV/ nT] using the following data for standard conditions: P = 1.013x105 Pa, V = 0.0224 m3, n = 1 mole, and T = 273.16°K) 0.01207 Volume fraction gas (from borehole SD-12 analysis; spreadsheet routine: “gasC14- SD-12-1996dataV1.2.xls”) 1.040E-03 Fitted diffusion-dispersion coefficient for CO2 (m2/sec; computed from the molecular diffusion coefficient multiplied by a value of t = 65 to represent gas-phase dispersion from large-scale circulation and barometric pumping) 1.600E-05 Molecular diffusion coefficient for CO2 at 25°C (m2/sec; Incropera and DeWitt 1994; Table A.8, page 849) 2.100E-05 Molecular diffusion coefficient for O2 at 25°C (m2/sec; Incropera and DeWitt 1994; Table A.8, page 849) 2.636E-04 Diffusion-dispersion coefficient for O2 (m2/sec; calculated from the fitted coefficient for CO2 above) 3.954E+02 Repository depth (in meters; from the model grid for the L4C4 location, in NUFT input file: “L4C4-LDTH60-1Dds_mc-ui-01v.in”) 8.826E+04 Referene total gas-phase pressure (Pa) estimated from the average of the groundsurface and water table pressure boundary conditions, and copied from Worksheet: THmodel, Cell AK134. 1.000E+03 CO2 relative abundance at surface boundary (ppmv; used as Cgas,in for CO2 calculation) 2.000E+05 O2 relative abundance at surface boundary (ppmv; assumed value; used as Cgas,in for O2 calculation described in Section 6.2) 0.04402 Molecular weight of CO2 (kg/mole; Weast and Astle, 1981; p. B-90) 0.03200 Molecular weight of O2 (kg/mole; Weast and Astle, 1981; p. B-126) 289.1 Average temperature at the surface (°K) equal to the ground-surface temperature boundary conditions in NUFT input file: “L4C4-LDTH60-1Dds_mc-ui-01v.in” 1.617E-03 CO2 concentration at the surface boundary (kg/m3) calculated using the ideal gas law, with the average temperature and total pressure at the surface, and molecular weight for CO2 0.2352 O2 concentration at the surface boundary (kg/m3) calculated using the ideal gas law, with the average temperature and total pressure at the surface, and molecular weight for O2 ANL-EBS-MD-000033 REV 00 ICN 1 IX-32 July 2000 Table IX-4 Input data for Worksheet: Steel Value Source Threshold relative humidity for steel corrosion = 0.7 User-defined input Time to redissolve in Zone 3/4 (Time Period 3A) = 14.65 Spreadsheet: “normative_hiCO2_L4C4_ui-zone34- 500V1.2.xls” Worksheet: 700-1500 yr, Cell E56 Time to redissolve in Zone 5/6 (Time Period 4A) = 7.45 Spreadsheet: “normative_hiCO2_L4C4_ui-zone56- 1000V1.2.xls” Worksheet: 700-1500 yr, Cell E56 Drift diameter (m) = 5.5 Values justified in accompanying Analysis/Model Report Steel density (kg/m3) = 7850 AISC Manual of Steel Construction, Ninth Ed., p. 6-8 Steel surface area in Zone 3/4 (m2/m) = 6.95 Values justified in accompanying Analysis/Model Report Steel surface area in Zone 5/6 (m2/m) = 3.49 Values justified in accompanying Analysis/Model Report Ratio of O:Fe in corrosion products = 1.5 User-defined input Initial mass of steel in Zone 3/4 (kg) = 260 Values justified in accompanying Analysis/Model Report Initial mass of steel in Zone 5/6 (kg) = 925 Values justified in accompanying Analysis/Model Report Table IX-5 Comparison of Results from Worksheet: Evap, with Hand Calculations (L4C4 location; “upper” infiltration) Calculation Spreadsheet Value (Cell) Hand-Calculated Value Sum of Evaporation Fluxes (Column S) 7.882E-06 (S14) 7.8818E-06 Evaporation Power (Column T) 3.558E+01 (T14) 3.5579E+01 Proportion of Thermal Output (Column W) 72.44% (W14) 72.447% ANL-EBS-MD-000033 REV 00 ICN 1 IX-33 July 2000 Table IX-6 Comparison of Results from Worksheet: THmodel, with Hand Calculations (L4C4 location; “upper” infiltration) Calculation Zone # Spreadsheet Value (Cell) Hand-Calculated Value Calculated Zone Liquid Mass 1 8.220E+04 (AK72) 8.219E+04 (1000 yr) 2 2.184E+02 (AL72) 218.1 3 2.553E+02 (AM72) 255.3 4 0.000E+00 (AN72) 0 5 7.242E+00 (AO72) 7.242 6 0.000E+00 (AP72) 0 Calculated Residual Water Mass Balance 1 5.915E-05 (AK81) 5.915E-05 Corrections Expressed as Rates 2 -2.000E-09 (AL81) -2.000E-09 (1000 yr) 3 6.430E-08 (AM81) 6.430E-08 4 4.000E-10 (AN81) 4.000E-10 5 1.390E-06 (AO81) 1.390E-06 6 4.993E-07 (AP81) 4.993E-07 Net Water Vapor Input Rate 1 7.762E-06 (AK98) 7.762E-06 (1000 yr) 2 7.880E-07 (AL98) 7.880E-07 3 -5.238E-06 (AM98) -5.238E-06 4 -4.773E-06 (AN98) -4.773E-06 5 -1.039E-06 (AO98) -1.039E-06 6 0.000E+00 (AP98) 0.000E+00 Net Liquid Water Input Rate 1 -7.762E-06 (AK107) -7.760E-06 (1000 yr) 2 -7.880E-07 (AL107) -7.880E-07 3 5.238E-06 (AM107) 5.238E-06 4 4.773E-06 (AN107) 4.773E-06 5 1.039E-06 (AO107) 1.039E-06 6 0.000E+00 (AP107) 0.000E+00 Relative Humidity Calculation 1 9.703E-01 (AK126) 9.703E-01 (1000 yr) 2 9.610E-01 (AL126) 9.610E-01 3 9.607E-01 (AM126) 9.607E-01 4 8.416E-01 (AN126) 8.416E-01 5 8.572E-01 (AO126) 8.572E-01 6 7.772E-01 (AP126) 7.772E-01 Liquid Water Zone-to-Zone Positive Influx 0 to 1 6.165E-05 (AT31) 6.165E-05 (1000 yr) 0 to 1 0.000E+00 (AU31) 0.000E+00 2 to 1 0.000E+00 (AV31) 0.000E+00 1 to 2 1.026E-05 (WT31) 1.026E-05 0 to 2 2.000E-09 (AX31) 2.000E-09 3 to 2 0.000E+00 (AY31) 0.000E+00 2 to 3 1.105E-05 (AZ31) 1.105E-05 4 to 3 0.000E+00 (BA31) 0.000E+00 5 to 3 0.000E+00 (BB31) 0.000E+00 ANL-EBS-MD-000033 REV 00 ICN 1 IX-34 July 2000 Calculation Zone # Spreadsheet Value (Cell) Hand-Calculated Value Liquid Water Zone-to-Zone Positive Influx, 3 to 4 4.773E-06 (AT40) 4.773E-06 continued. 5 to 4 0.000E+00 (AU40) 0.000E+00 3 to 5 1.039E-06 (AV40) 1.039E-06 4 to 5 0.000E+00 (AW40) 0.000E+00 0 to 5 0.000E+00 (AX40) 0.000E+00 6 to 5 0.000E+00 (AY40) 0.000E+00 5 to 6 0.000E+00 (AZ40) 0.000E+00 0 to 6 0.000E+00 (BA40) 0.000E+00 Liquid Water Zone-to-Zone Positive Outflux 1 6.941E-05 (AU49) 6.941E-05 (1000 yr) 2 1.105E-05 (AV49) 1.105E-05 3 5.812E-06 (AW49) 5.812E-06 4 0.000E+00 (AX49) 0.000E+00 5 0.000E+00 (AY49) 0.000E+00 6 0.000E+00 (AZ49) 0.000E+00 ANL-EBS-MD-000033 REV 00 ICN 1 IX-35 July 2000 Table IX-7 Comparison of Results from Worksheet: Gasmodel, with Hand Calculations (L4C4 location; “upper” infiltration; 1000 yr) Calculation Description Spreadsheet Value (Cell) Hand-Calculated Value Max. Gas Mass Flux (Column E) MAX function 2.068E-06 2.07E-06 Density of Air (Column F; kg/m3) Eq. IX-6 0.8335 0.8335 Density of Water Vapor (Column G; kg/m3) Eq. IX-6 0.5184 0.5183 Min. Air Volume-Fraction (Column H) Eq. IX-7 1.414E-03 1.414E-03 Density of Gas (Column I; kg/m3) Eq. IX-8 0.5189 0.5188 Coefficient a CO2 (Column K; kg/m2-sec) Eq. IX-10 3.18E-08 3.175E-08 Coefficient b CO2 (Column L; kg/m2-sec) Eq. IX-11 -4.02E-06 -4.017E-06 Max. CO2 Conc. Ratio (Column M) Eq. IX-12 0.00791 0.007916 Max. CO2 Mass Flux (kg/m2-sec) Eq. IX-13 5.13E-11 5.14E-11 CO2 Conc. Ratio (mass flux ratio = 10-4) Eq. IX-14 7.90E-03 7.910E-03 CO2 Conc. Ratio (mass flux ratio = 0.01) Eq. IX-14 7.83E-03 7.831E-03 CO2 Conc. Ratio (mass flux ratio = 0.1) Eq. IX-14 7.11E-03 7.119E-03 CO2 Conc. Ratio (mass flux ratio = 0.2) Eq. IX-14 6.32E-03 6.328E-03 CO2 Conc. Ratio (mass flux ratio = 0.5) Eq. IX-14 3.95E-03 3.955E-03 CO2 Conc. Ratio (mass flux ratio = 0.9) Eq. IX-14 7.91E-04 7.910E-04 CO2 Conc. Ratio (mass flux ratio = 0.99) Eq. IX-14 7.91E-05 7.910E-05 Coefficient a for O2 (Column K; kg/m2-sec) Eq. IX-10 4.17E-08 4.167E-08 Coefficient b for O2 (Column L; kg/m2-sec) Eq. IX-11 -4.03E-06 -4.027E-06 Max. CO2 Conc. Ratio (Column M) Eq. IX-12 0.01035 0.01035 Max. CO2 Mass Flux (kg/m2-sec) Eq. IX-13 9.80E-09 9.801E-09 CO2 Conc. Ratio (mass flux ratio = 10-4) Eq. IX-14 0.0103 0.01035 CO2 Conc. Ratio (mass flux ratio = 0.01) Eq. IX-14 0.0102 0.01024 CO2 Conc. Ratio (mass flux ratio = 0.1) Eq. IX-14 9.32E-03 9.313E-03 CO2 Conc. Ratio (mass flux ratio = 0.2) Eq. IX-14 8.28E-03 8.278E-03 CO2 Conc. Ratio (mass flux ratio = 0.5) Eq. IX-14 5.18E-03 5.174E-03 CO2 Conc. Ratio (mass flux ratio = 0.9) Eq. IX-14 1.04E-03 1.035E-03 CO2 Conc. Ratio (mass flux ratio = 0.99) Eq. IX-14 1.04E-03 1.035E-04 ANL-EBS-MD-000033 REV 00 ICN 1 IX-36 July 2000 Table IX-8 Comparison of Results from Worksheet: CHEMprobL4C4upper, with Hand Calculations (L4C4 location; “upper” infiltration) Calculation (Column) Description Spreadsheet Value (Cell) Hand- Calculated Value Estimated PCO2 (atm; Column H) 1000 yr 1.5361E-06 1.536E-06 Estimated log10PCO2 (Column I) 1000 yr -5.8136 -5.8136 Estimated PO2 (atm; Column J) 1000 yr 4.0304E-04 4.030E-04 Estimated log10PO2 (Column K) 1000 yr -3.3947 -3.3947 Zone 1/2 Vapor Influx (kg/m-sec; Column S) 1000 yr 8.550E-06 8.550E-06 Zone 1/2 Liquid Mass (kg/m; Column T) 1000 yr 8.241E+04 8.242E+04 Zone 1/2 Liquid Outflux (kg/m-sec; Column U) 1000 yr -7.020E-05 -7.020E-05 Zone 1/2 Evap. Conc. Factor (Column V) 1000 yr 0.8782 0.8782 Zone 1/2 Weighted Avg. Temp. (Column W) 1000 yr 88.42 88.42 Zone 1/2 Thru-Flux to Host Rock (Column Y) 1000 yr 5.915E-05 5.915E-05 Zone 3/4 Vapor Influx (kg/m-sec; Column AB) 1000 yr -1.001E-05 -1.001E-05 Zone 3/4 Liquid Mass (kg/m; Column AC) 1000 yr 255.3 255.3 Zone 3/4 Liquid Outflux (kg/m-sec; Column AD) 1000 yr -1.039E-06 -1.039E-06 Zone 3/4 Evap. Conc. Factor (Column AE) 1000 yr 10.64 10.63 Zone 3/4 Weighted Avg. Temp. (Column AF) 100 yr 189.77 189.75 Zone 3/4 Weighted Avg. Temp. (Column AF) 1000 yr 96.05 96.00 Zone 5/6 Liquid Influx (kg/m-sec; Column AI) 1000 yr 1.039E-06 1.039E-06 Zone 5/6 Vapor Influx (kg/m-sec; Column AJ) 1000 yr -1.039E-06 -1.039E-06 Zone 5/6 Liquid Mass (kg/m; Column AK) 1000 yr 7.242 7.242 Zone 5/6 Liquid Outflux (kg/m-sec; Column AL) 2000 yr -4.931E-06 -4.931E-06 Zone 5/6 Evap. Conc. Factor (Column AM) 2000 yr 1.046 1.046 Zone 5/6 Weighted Avg. Temp. (Column AN) 100 yr 200.53 200.50 Zone 5/6 Weighted Avg. Temp. (Column AN) 2000 yr 88.46 88.45 Zone 5/6 Thru-Flux to Host Rock (Column AP) 2000 yr 4.931E-06 4.931E-06 Table IX-9 Comparison of Results from Worksheet: Steel, with Hand Calculations (L4C4 location; “upper” infiltration; all results for Time Period 3B, Zone 3/4) Calculation (Column) Description Spreadsheet Value (Cell) Hand- Calculated Value Equivalent CNaCl (wt %; Column K) Eq. (IX-17) 0.01212 0.01212 Penetration Rate (um/ yr; Column M) Eq. (IX-18) 80.36 80.53 Mass Rate of Corrosion (kg/m-yr; Column N) Eq. (IX-19) 4.384 4.393 Elapsed Time to Depletion (yr; Column O) 59.30 59.19 Oxygen Consumption Rate (kg/m-yr; Column P) Eq. (IX-20) 5.970E-08 5.982E-08 ANL-EBS-MD-000033 REV 00 ICN 1 IX-37 July 2000 Figure IX-1. Polynomial Curve Fit to Tabulated Vapor Pressure Data for Water Water Vapor Pressure y = -3.7346E-14x 6 + 3.6840E-11x 5 + 1.9505E-09x 4 + 2.7716E-07x 3 + 1.5044E-05x 2 + 3.9790E-04x + 6.4609E-03 R 2 = 1.0000E+00 0.0 0.5 1.0 1.5 2.0 2.5 0 25 50 75 100 125 Temperature (C) Vapor Pressure (Atm) ANL-EBS-MD-000033 REV 00 ICN 1 X-1 July 2000 ATTACHMENT X SOFTWARE ROUTINE DOCUMENTATION FOR RUNGEKUTTA SOLUTION ALGORITHM ROUTINE IDENTIFICATION This documentation describes the initial issue of the following routines: SoluteRKV1.2__50-300-l4c1-li.mcd Version 1.1 SoluteRKV1.2__300-700-l4c1-li.mcd Version 1.1 SoluteRKV1.2__700-1500-l4c1-li.mcd Version 1.1 SoluteRKV1.2__1500-2500-l4c1-li.mcd Version 1.1 SoluteRKV1.2__2500-10000-l4c1-li.mcd Version 1.1 SoluteRKV1.2__50-300-l4c1-ui.mcd Version 1.1 SoluteRKV1.2__300-700-l4c1-ui.mcd Version 1.1 SoluteRKV1.2__700-1500-l4c1-ui.mcd Version 1.1 SoluteRKV1.2__1500-2500-l4c1-ui.mcd Version 1.1 SoluteRKV1.2__2500-10000-l4c1-ui.mcd Version 1.1 SoluteRKV1.2__50-300-l4c4-li.mcd Version 1.1 SoluteRKV1.2__300-700-l4c4-li.mcd Version 1.1 SoluteRKV1.2__700-1500-l4c4-li.mcd Version 1.1 SoluteRKV1.2__1500-2500-l4c4-li.mcd Version 1.1 SoluteRKV1.2__2500-10000-l4c4-li.mcd Version 1.1 SoluteRKV1.2__50-300-l4c4-ui.mcd Version 1.1 SoluteRKV1.2__300-700-l4c4-ui.mcd Version 1.1 SoluteRKV1.2__700-1500-l4c4-ui.mcd Version 1.1 SoluteRKV1.2__1500-2500-l4c4-ui.mcd Version 1.1 SoluteRKV1.2__2500-10000-l4c4-ui.mcd Version 1.1 These routines were developed and compiled using Mathcad 8 Professional (MathSoft 1998), run on a Dell Poweredge 2200 PC (Pentium Pro; Windows 95 V4.00.950 B). The source code has been provided on the CD, in a submittal described in Attachment I. Each of the above routines contains exactly the same set of Mathcad operations, with different input data. This software is a classified as a routine per AP-SI.1Q, and is qualified by this Attachment. This routine executes the expected mathematical operations accurately, and is therefore appropriate. ROUTINE PURPOSE The purpose of this software is to use an intrinsic Mathcad function RKadapt(Runge-Kutta method with adaptive step size) to solve a set of simultaneous, linear, ordinary differential equations (Equation 15) that describe the movement of a conservative, ideal solute through a lumpedparameter model of the Engineered Barrier System (EBS). Each of the above files (herein called “SoluteRK” files) solves this problem for all zones (mixing cells) representing the EBS, for one thermal-hydrology (T-H) case, and for one of the time periods used to describe EBS evolution during the 10,000-yr performance period. ANL-EBS-MD-000033 REV 00 ICN 1 X-2 July 2000 INPUT AND OUTPUT DATA There are no input or output files associated with this software. Rather, the input data are entered manually into specific fields within the Mathcad files. These input data consist of liquid inflow, liquid outflow, and liquid masses for each zone during the time period. These are obtained from specified calculation cells within the software routine spreadsheets th+gas_model-l4c1-li-04.xls th+gas_model-l4c1-ui-04.xls th+gas_model-l4c4-li-04.xls th+gas_model-l4c4-ui-04.xls Each of these contains input information for one of four T-H cases representing two locations (l4c1 and l4c4) and two infiltration distributions (upper and lower, represented by “ui” and “li” respectively). In addition, the input data also include the mass of conservative solute remaining in the zone from the previous time period. These data are obtained from the SoluteRK file for the previous time period. Finally, the input include the duration of each time period in years, which is a a fixed constant in each SoluteRK file (because each such file represents a specific time period). The output data consist of calculated normalized mass of the conservative solute as a function of time, for all zones, during one time period. Output also includes the final solute mass present in each zone at the end of the time period. VALIDATION TEST CASE The routine includes algebraic calculations that set up the problem for Runge-Kutta solution. These set-up calculations are validated in this Attachment using a test case. The Runge-Kutta algorithm (the “Rkadapt” function call in Mathcad) validation is presented below.. The test case is selected from the SoluteRK files (“SoluteRKV1.2__Test_Case.mcd”). The hand calculation that verifies the accuracy of the test case is described below. The input data for the test case hand calculation are shown in Table X-1. The model term coefficients are calculated using the formulae shown in Figure X-1, and the hand-calculated results are shown in Table X-2. The initial concentrations are calculated using C(i) = Initial Mass (kg) / Volume (or mass) of Liquid in Zone (X-1) and are also shown in Table X-2. The model system coefficients are calculated using the formulae shown in Figure X-2, and the hand-calculated results are shown in Table X-2. Note that the parameter C0 is the reference concentration and is assigned a value of unity. Comparisons with hand-calculated results in Table X-2 show that the SoluteRK results match exactly as reported. The input data are given to a minimum of four significant digits, so calculations should not be reported to greater precision. However, Mathcad performs all operations to 15 digits ANL-EBS-MD-000033 REV 00 ICN 1 X-3 July 2000 of precision, so in order to reproduce the Mathcad values the hand calculations were taken to more than four significant digits, and rounded off for comparison in Table X-2. The actual values for intermediate results that were used in the hand calculations, are shown with the actual number of digits used, in Table X-2. The conservative solute system of simultaneous ordinary differential equations with initial concentrations represents an initial value problem. In order to verify that the Rkadapt MathCad routine has converged to a steady state solution, the final concentrations in the analysis as represented by the final concentration vector are substituted into the right-hand-side (RHS) of the system of ordinary differential equations below: The final steady state concentrations when substituted into the RHS result in the equaling zero. The solution satisfies the system of ordinary differential equations (Equation 15), and the Rkadapt MathCad function is verifed for the given set of parameters. The final comparison to hand-calculated results is the post-processing of the Runge-Kutta solution results in SoluteRK array Zm, which contains the concentration of solute in each zone, at each time step. These values are multiplied by the zone volumes, in the form of a diagonal matrix P: Mm = Zm * P (X-3) to obtain the mass of solute in each zone, for every time step. This calculation is also done for the final mass in each zone. The last row of array Zm corresponds to the last time step (y=7500 yr), and mass is calculated from m(i) = Zm(y+1,i+1)*V(i) (X-2) The calculation shown in Equation X-2 for the last time step is used as a test case. The results are shown in Table X-3, and the hand-calculations match the SoluteRK values exactly. This foregoing process documents the accuracy of this routine for calculating changes in mass of a conservative solute, within each zone in the EBS lumped parameter model, for one time step. The algorithm implemented in this routine describes solute accumulation in a network of zones or cells, for steady-state flow conditions. The algorithm is applied successively to different time periods, which represent the evolution of the simulation problem in a step-wise manner. This routine is valid for any set of input data that describes a system of such zones with the same connectivity as A1a C0 × A1b C1 × - A1c C2 × + A2a C0 × A2b C1 × + A2c C2 × - A3a C2 × A3b C3 × - A3c C4 × + A3d C5 × + A4a C3 × A4b C4 × - A4c C5 × + A5a C0 × A5b C3 × + A5c C4 × + A5d C5 × - A5e C6 × + A6a C0 × A6b C5 × + A6c C6 × - æççççççççè ö÷÷÷÷÷÷÷÷ø 6.939 - 10 17 - ´ 0.000 0.000 0.000 0.000 2.207 - 10 3 - ´ æçççççççè ö÷÷÷÷÷÷÷ø = ANL-EBS-MD-000033 REV 00 ICN 1 X-4 July 2000 the system developed in Section 6.1. In addition, the liquid flux from Zone 3 to Zone 2 must be zero (i.e. from the drift into the overlying host rock). ANL-EBS-MD-000033 REV 00 ICN 1 X-5 July 2000 Table X-1. Input Data for SoluteRK Test Case. Inflow and Outflow Data Zone Flow In to Zone (kg/m-sec) Flow Out of Zone (kg/m-sec) Volume or Mass (kg/m) 1 q01=1.049E-4 q1out=1.049E-4 V1=8.212E+4 q21=0 2 q02=9.8E-10 q2out=8.684E-6 V2=220.7 q12=8.639E-6 3 q23=8.684E-6 q3out=9.282E-6 V3=397.2 q43=0 q53=0 4 q34=3.352E-6 q4out=2.717E-6 V4=44.08 q54=0 5 q05=0.0 q5out=8.583E-6 V5=161.7 q35=5.93E-6 q45=2.717E-6 q65=0 6 q06=0 q6out=8.418E-6 V6=61.47 q56=8.376E-6 Initial Solute Mass in Zones Zone Initial Mass (kg) 1 8.254E+4 2 196.875 3 214.752 4 75.572 5 154.768 6 57.637 Duration of Time Period (yr) y=7500 ANL-EBS-MD-000033 REV 00 ICN 1 X-6 July 2000 Table X-2. Results from Hand Calculation of Model Coefficients Model Term Coefficients Coefficient Hand-Calc. Value SoluteRK A1a 0.040238 0.040238 A1b 0.040238 0.040238 A1c 0 0.0 A2a 1.3989E-4 1.3989E-4 A2b 1.233024 1.233024 A2c 1.239447 1.239447 A3a 0.688686 0.688686 A3b 0.736110 0.736110 A3c 0 0 A3d 0 0 A4a 2.395372 2.395372 A4b 1.941595 1.941595 A4c 0 0 A5a 0 0 A5b 1.155195 1.155195 A5c 0.529286 0.529286 A5d 1.672013 1.672013 A5e 0 0 A6a 0 0 A6b 4.292240 4.292240 A6c 4.313763 4.313763 Initial Concentrations Zone Hand-Calc. Value SoluteRK Value C(1) 1.005 1.005 C(2) 0.892 0.892 C(3) 0.541 0.541 C(4) 1.714 1.714 C(5) 0.957 0.957 C(6) 0.938 0.938 Model Coefficients Zone Hand-Calc. Value SoluteRK Value D(1) -1.862E-4 -1.862E-4 D(2) 0.133 0.133 D(3) 0.216 0.216 D(4) -2.034 -2.034 D(5) -0.068 -0.068 D(6) 0.063 0.063 ANL-EBS-MD-000033 REV 00 ICN 1 X-7 July 2000 Table X-3. Results from Hand Calculation of Final Masses Zone (i) Zm(751,I) Hand-Calc. Value m(i) SoluteRK Value m(i) 1 1.000000 8.212E+4 8.212E+4 2 0.995 219.581 219.581 3 0.931 369.726 369.726 4 1.148 50.621 50.621 5 1.007 162.773 162.773 6 1.002 61.601 61.601 ANL-EBS-MD-000033 REV 00 ICN 1 X-8 July 2000 A 1a q 01 3.15 . 107 . V 1 A 1b q 1out 3.15 . 107 . V 1 A 1c q 21 3.15 . 107 . V 1 A 2a q 02 3.15 . 107 . V 2 A 2b q 12 3.15 . 107 . V 2 A 2c q 2out 3.15 . 107 . V 2 A 3a q 23 3.15 . 107 . V 3 A 3b q 3out 3.15 . 107 . V 3 A 3c q 43 3.15 . 107 . V 3 A 3d q 53 3.15 . 107 . V 3 A 4a q 34 3.15 . 107 . V 4 A 4b q 4out 3.15 . 107 . V 4 A 4c q 54 3.15 . 107 . V 4 A 5a q 05 3.15 . 107 . V 5 A 5b q 35 3.15 . 107 . V 5 A 5c q 45 3.15 . 107 . V 5 A 5d q 5out3.15 . 107 . V 5 A 6a q 06 3.15 . 107 . V 6 A 6b q 56 3.15 . 107 . V 6 A 6c q 6out 3.15 . 107 . V 6 A 5e q 65 3.15 . 107 . V 5 Figure X-1. Formulae for Hand-Calculated Model Term Coefficients. D t C , ( ) A 1a C 0 . A 1b C1 . A 1c C2 . A 2a C 0 . A 2b C1 . A 2c C2 . A 3a C2 . A 3b C3 . A 3c C4 . A 3d C5 . A 4a C3 . A 4b C4 . A 4c C5 . A 5a C 0 . A 5b C3 . A 5c C4 . A 5d C5 . A 5e C6 . A 6a C 0 . A 6b C5 . A 6c C6 . Figure X-2. Formulae for Hand-Calculating Model Coefficients ANL-EBS-MD-000033 REV 00 ICN 1 XI-1 July 2000 ATTACHMENT XI SOFTWARE ROUTINE DOCUMENTATION FOR SD-12 BOREHOLE 14C ACTIVITY AND CO2 ABUNDANCE DATA PLOTTING AND FITTING SPREADSHEET XI.1 ROUTINE IDENTIFICATION This Attachment describes the initial issue of software routine: “gasC14-SD-12- 1996dataV1.2.xls” Version 1.1 which is an Excel 97 (SR-2) spreadsheet. The source file has been submitted in electronic form (Attachment I). The routine was run on a Dell Poweredge 2200 PC (Pentium Pro; Windows 95 4.00.950 B). The spreadsheet is classified as a routine per AP-SI.1Q, and is qualified by this Attachment. XI.2 ROUTINE PURPOSE The purpose of this routine is to assemble data from borehole SD-12, consisting of in situ gas-phase and porewater CO2 abundance and 14C activity, unit contact depths, matrix saturation, matrix porosity, and fracture porosity. The routine compiles and plots CO2 data from borehole SD-12; and calculates and plots an exponential solution for gaseous mass transfer. These data are manipulated and plotted to support interpretation of the natural, ambient transport of CO2 into the unsaturated zone (UZ) by gas-phase diffusive-dispersive mass-transfer processes. This routine supports the Engineered Barrier System (EBS) Physical and Chemical Environment Analysis/Model Report. Specific purposes for Worksheet: SD-12 stratigraphy, are to calculate the depth-averaged fracture porosity and depth-averaged matrix volumetric porewater content for the UZ geologic section at borehole SD-12. These quantities are expressed as the thicknessvolumetric water product, and the thickness-fracture porosity product. Each measure is calculated for the depth interval between the ground surface and the bottom of the welded host rock (which corresponds to the top of an inferred perched water zone). The calculations are valid within the range of borehole depth for SD-12 presented from the geologic framework model (DTN: MO9811MWDGFM03.000) XI.3 ROUTINE DESCRIPTION XI.3.1 Worksheet: SD-12 stratigraphy Columns A, B, and C are copied from a table of stratigraphic picks prepared for borehole SD-12, which was prepared to support the Groundwater Flow Model (GFM) V3.0 (DTN: MO9811MWDGFM03.000, file “pix98usgs.xls"). This constitutes a list of all geologic units logged in the SD-12 borehole, and the contact depths. Columns D and E represent depth intervals abstracted from the geologic intervals in Columns A and B, which best correspond to hydrostratigraphic intervals at the SD-12 location. The depth intervals in Columns D and E honor the intervals from Columns A and B, but may roll up several geologic units into one hydrostratigraphic interval. A hydrostratigraphic unit is ANL-EBS-MD-000033 REV 00 ICN 1 XI-2 July 2000 assigned to each abstracted depth interval, in Column F. Assignment of hydrostratigraphic units to geologic units is supported by the UZ Site-Scale Model for Viability Assessment (Bodvarsson et al. 1997, Table 3.4-1). Column G is a list of all available hydrostratigraphic units from a “rocktab” file used in thermal-hydrology calculations from DTN: LB997141233129.001 (file: “dkm_afc-ds-NBSm_ inf” described in Attachment I). This file corresponds to the hydrostratigraphic property set developed for “median” infiltration conditions. Column H is the unit thickness calculated from Columns D and E, converted from feet to meters. Because some geologic units listed in Column G are not present in borehole SD-12, some of the thickness values in Column H are zero. Columns I and J sum all the zero and nonzero thickness values, and calculate depth intervals for every individual hydrostratigraphic unit, whether present or not. Columns K and L show the abstracted intervals, each of which incorporates one or more discrete hydrostratigraphic units. Column M copies the matrix porosity values for each hydrostratigraphic unit from the “rocktab” file (DTN: LB997141233129.001) discussed above. Column N is an approximate value for the saturation of each hydrostratigraphic unit present in borehole SD-12. The values in Column N were picked visually to represent the central tendency of scattered measurements for each hydrostratigraphic unit present (DTN: LB970201233129.001, Figure 6.4.10). Matrix saturation is used to estimate an average volumetric water-thickness product for the UZ, so approximate values for saturation are acceptable. Column O calculates the volumetric water content for each hydrostratigraphic unit, using the matrix porosity and approximate saturation from Columns M and N, respectively. Column P calculates a volumetric water-thickness product for each hydrostratigraphic unit present, and Column Q sums these values for each abstracted interval. Column R copies the fracture porosity values for each hydrostratigraphic unit from the “rocktab” file discussed above. Column S calculates a fracture porosity-thickness product for each hydrostratigraphic unit, and Column T sums these values for each abstracted interval. XI.3.2 Worksheet: gas and porewater C-14 This worksheet has four functions: 1) assign values for 14C activity to the abstracted intervals defined in Worksheet: SD-12 stratigraphy; 2) assign values for total dissolved CO2 in the same abstracted intervals; 3) estimate the influx of modern carbon to the UZ from 14C mass balance; and 4) plot the exponential solution for 14C activity vs. and compare graphically with 14C data from borehole SD-12. 14C Activity Data and Assignment of Values to Abstracted Intervals Columns A through G contain geologic data for borehole SD-12 that are copied from the DTN: GS961108312271.002. . Two types of data are copied: • Borehole Gas Samples – Rows 6 through 23 are for gas samples. The depth information is reported in meters and is copied to Column I (DTN: GS961108312271.002). Depth values in feet are calculated in Row G. ANL-EBS-MD-000033 REV 00 ICN 1 XI-3 July 2000 • Extracted Porewater Samples – Rows 28 through 39 and Rows 44 through 56, report 14C activity analyses for extracted porewaters (DTN: GS961108312271.002). Each measurement represents the result of processing a small interval of rock core, which is reported as the Depth Range in feet. The approximate midpoint of this range is entered in Column H, and converted to meters in Column I. The end result of the foregoing discussion is Column C with 14C activity, and Column I with depth in meters. These data are plotted along with the exponential function discussed below. Column J contains the depths for the abstracted depth intervals, copied from Worksheet: SD- 12 stratigraphy, Column L. Column K calculates the interval thickness, from the depth information in Column J. Column L contains user-defined values for 14C activity, which are assigned to the abstracted depth intervals. The 14C activity values are selected so that the abstracted profile in Figure 1 is a reasonable fit to the plotted data (from Columns C and I). The depth intervals were developed in Worksheet: SD-12 stratigraphy, and only the 14C activity values are assigned here. Use of the abstracted profile is limited to integration over depth, for the purpose of calculating the overall 14C required for steady-state replacement of 14C decay in situ. This application depends on matching the overall trend vs. depth, for which the approximate values assigned here are suitable. Total Dissolved CO2 Data and Assignment of Values to Abstracted Intervals Columns M through O and Q through S, contain data for borehole SD-12 that are copied from the Technical Data Management System (Data Tracking Numbers provided as noted). These data are limited to bicarbonate analyses for extracted porewaters from core samples obtained in borehole SD-12, plus two core samples from Alcove 5 boreholes PERM-1 and PERM-3. The concentration data are expressed in units of bicarbonate mass per volume of porewater. These data are converted in Column P to units of CO2 mass per volume of porewater, whereby total dissolved inorganic carbon is represented by bicarbonate. This approximation is appropriate for waters with near-neutral pH and typical alkalinity, because relatively small amounts of inorganic carbon are found as carbonic acid (H2CO3), carbonate (CO3 2-), or other complexes. Each measurement of porewater bicarbonate concentration represents the result of processing a small interval of rock core, which is reported as the Depth Range in feet. The approximate midpoint of this range is entered in Column T, and converted to meters in Column U. The end result of the foregoing discussion is Column P with porewater CO2 concentration, and Column U with depth in meters. Column V contains the depths for the abstracted depth intervals, copied from Worksheet: SD-12 stratigraphy, Column L. Column W calculates the interval thickness, from the depth information in Column V. Column X contains user-defined values for porewater CO2 concentration, which are assigned to the abstracted depth intervals. The porewater CO2 values are selected so that the abstracted profile in Figure 2 is a reasonable fit to the plotted data (from Columns P and U). The depth intervals were developed in Worksheet: SD-12 stratigraphy, and only the porewater CO2 values are assigned here. Application of the abstracted profile is limited to integration over depth, which depends on matching the overall trend vs. depth, for which the approximate values assigned here are suitable. ANL-EBS-MD-000033 REV 00 ICN 1 XI-4 July 2000 14C Mass Balance Column Y contains the depths for the abstracted depth intervals, copied from Worksheet: SD-12 stratigraphy, Column L. Column Z contains the volumetric water-thickness product copied from Worksheet: SD-12 stratigraphy, Column Q. Column AA calculates the flux of CO2 to each abstracted depth interval, required to replace the CO2 lost to radioactive decay. This result is calculated from in 14 14 14 total incr a / a ) z ( C m . . . = (XI-1) where Ctotal = Assigned value of the total CO2 concentration, from Column X (mg/l) ..z = Volumetric water-thickness product from Column Z (m) .14 = Decay constant for 14C (sec-1) 14a = 14C activity in each depth interval from Column L (pmc) 14ain = 14C activity in recharge, from Cell AC32 (pmc) (Fritz and Fontes 1980, pp. 51–53) The right hand side is divided by 1,000 so that mincr is in units of kg/m2-sec. This is converted to units of mg/m2-yr in Column AB. In Column AC the incremental fluxes in Column AB are integrated, so as to compute the cumulative CO2 demand as a function of depth. Both Columns AB and AC are plotted vs. depth, in Figure 3. Additional calculations in Column AC, Rows 32 through 49, summarize the mass balance calculations. Cell AC33 contains user-defined input for the total CO2 concentration of recharge water. The value input (94 mg CO2/l) is based on J-13 water. The total CO2 demand (mg CO2/m2-yr) is copied from Cell AC28 to Cell AC34. Cell AC37 contains user-defined input for the 14C activity of recharge through-flow to the saturated zone. This value is used for argument purposes, to compare the required influx of modern 14CO2 to the UZ from gas- and liquid-phase advective processes. Cell AC38 contains user-defined input for the 14C activity of the average recharge. Cell AC39 calculates the minimum required -flux of modern CO2 below a depth of 396.97 m in borehole SD-12, found from the difference between Cell AC34 and Cell AC20. Cell AC41 calculates the minimum required flux of modern CO2 below a depth of 397 m, corrected for discharge to SZ of CO2 with nonzero 14C activity described by Cell AC37. Column AC42 calculates an estimate of the aqueous flux needed to deliver this CO2 flux below 397 m, calculated by dividing the contents of Cell AC41 by Cell AC33. Any excess percolation flux that could potentially support CO2 transport to the UZ above 397 m, is calculated in Cell AC45. Fracture waters run rapidly through the fractured tuff, to the perching horizon near 397 m, without interacting with the UZ above this depth. For the borehole SD-12 location, if the net infiltration flux is less than approximately 5 mL/yr, then this excess percolation flux is zero, and much or all of the CO2 flux to the host rock is transported in the gas phase. Cell AC46 calculates the minimum required flux of modern CO2 to replace decay between the surface and a depth of 397 m, found from the difference between Cell AC34 and Cell AC20. Cell AC47 calculates the amount transported by liquid flux, which is zero if Cell AC45 is zero. Cell AC49 corrects the minimum required CO2 flux (Cell AC46) by the amount transported in liquid flux (Cell AC47) to determine the minimum ANL-EBS-MD-000033 REV 00 ICN 1 XI-5 July 2000 flux of modern CO2 in the gas phase, to replace that lost to radioactive decay above 397 m depth in borehole SD-12. Plot the Exponential Solution for 14C Activity vs. Depth Columns AD through AH implement the exponential solution developed in the text for 14C activity vs. depth in the UZ, which is based on steady-state, retarded, 1-D advectivedispersive transport (Equation 22): ( ) .. .. . .. .. . . . . . . . . . f f + f f . + - = gas gas d liquid gas gas gas 14 2 d 2 d in 14 14 D 2 K D 4 K u uK z exp aa (XI-2) where u = Advective velocity (based on flux divided by fliquid) Kd = Partition coefficient for CO2 between the immobile liquid phase and the gas phase; assigned a dimensionless value of 53.1 fgas = Average fracture porosity in the UZ, corrected for fracture saturation Dgas = Effective dispersion-diffusion coefficient (fitting parameter; m2/sec) fliquid = Average liquid-filled porosity in the UZ The average fracture porosity (fgas) is calculated in Cell AD15, from the fracture porositythickness product calculated in Worksheet: SD-12 stratigraphy, Cell T43, using the following formula: z / ) z )( S 1 ( frac frac gas . . f - = f (XI-3) where Sfrac = Fracture saturation, for which a value of 0.01 is used (ffrac.z) = Fracture porosity-thickness product (m) .z = Depth interval (397 m) Application of Eq. (XI-2) is relatively insensitive to the value selected for fracture saturation, as long as the value is small (e.g. < 0.1). Similarly, the average liquid-filled porosity (fliquid) is calculated by dividing the volumetric water-thickness product (..z) calculated in Worksheet: SD-12 stratigraphy, Cell Q43, by the total depth increment (.z = 397 m). A summary of the input data for this portion of the worksheet is shown in Table XI-1. The coefficient of z, in Eq. (XI-2) is calculated for the lower, median, and upper infiltration values, in Cells AD22, AD23, and AD24, respectively. Columns AD and AE are used to set up a column of depth (z) values, in Range AD30:AE70. Equation (XI-2) is calculated in Columns AF, AG, and AH, for the average lower, average mean, and average upper infiltration values, respectively (Rows 30 through 70). These calculated results are plotted against depth (Column AE) in Figure 4. XI.4 VALIDATION TEST CASE Statement of Applicability ANL-EBS-MD-000033 REV 00 ICN 1 XI-6 July 2000 The results of these routines meet the objectives, and have been found by direct comparison of the spreadsheet calculations with the hand calculations to accurately perform the required numerical manipulations, so the routines are therefore appropriate and valid. It should be noted that the 1-D mass transfer model Eq. (XI-2) is generally a bounding-type model, but involves some approximations and assumptions that may restrict its use. XI.4.1 Worksheet: SD-12 Stratigraphy The calculations consist of differencing and summation of depths, unit conversions, multiplying to form thickness-products, and summation of the thickness products from the source data identified above. The accuracy of these results is verified by simple hand calculations that are compared with the worksheet calculations. XI.4.2 Worksheet: gas & porewater C-14 The simple calculations are verified by comparing simple hand calculations to the results of the worksheet calculations from the source data identified above. In addition, there are several ranges containing calculations, that are verified by comparison to hand calculations as described below. Incremental CO2 Flux for Decay Column AA calculates the required mass flux of modern CO2, required to replenish radioactive decay within each of the abstracted depth intervals. Comparison of spreadsheet values from Column AA with hand-calculations using Eq. (XI-1) is shown in Table XI-2. The hand-calculated values agree closely with the spreadsheet values in this table. Exponent Coefficient The coefficient of depth (z) in the exponent of Eq. (XI-2) is calculated in Cells AD22, AD23, and AD24, for lower, median, and upper infiltration conditions, respectively. Comparison of spreadsheet values from these cells with hand calculations is shown in Table XI-3. Input data for the hand calculations are listed in Table XI-1. The hand-calculated values agree closely with the spreadsheet values in this table. Calculated 14C Activity The resulting 14C activity calculated using Eq. (XI-2) is calculated for lower, median, and upper infiltration conditions in Ranges AF30:AF70, AG30:AG70, and AH30:AH70, respectively. The same formula is copied to all cells in each range, with automatic indexing of precedent cells, so it is necessary to verify only a few representative calculations by hand calculation. Comparison of a few representative spreadsheet values with hand calculations, is shown in Table XI-4. The input depth is obtained from Range AE30:AE70, the 14C activity at the surface is from Cell AD20, and the exponent coefficients are from the cells discussed above. The hand-calculated values agree closely with the spreadsheet values in this table. ANL-EBS-MD-000033 REV 00 ICN 1 XI-7 July 2000 The above results from the validation test case show agreement with hand calculations, therefore the routine executes the desired operations accurately, and is determined to be valid for its intended use. The routine provides correct results for the range of parameters obtained from the input sources. ANL-EBS-MD-000033 REV 00 ICN 1 XI-8 July 2000 Table XI-1 Input Data for Fitting Exponential Solution to Observed 14C Activity vs. Depth Cell Value Description Source AD3 0.56 Aqueous flux - lower average (mm/yr) Spreadsheet file “infiltration.xls” AD4 1.77778E-11 Aqueous flux (m/sec) Calculated AD5 5.98 Aqueous flux - medial average (mm/yr) Spreadsheet file “infiltration.xls” AD6 1.89841E-10 Aqueous flux (m/sec) Calculated AD7 14.56 Aqueous flux - upper average (mm/yr) Spreadsheet file “infiltration.xls” AD8 4.62222E-10 Aqueous flux (m/sec) Calculated AD9 1.00E+03 CO2 concentration in air (ppmv) See report Section 4.1.2 AD10 94.0 CO2 concentration in porewater (mg/l) See report Section 4.1.2 AD11 8.826E+04 Reference pressure (Pa) Avg. total pressure at the repository horizon (l4c4 location; Section 4.1.1) AD12 303.0 Reference temperature (K) See report Section 4.1.1 AD13 53.1 Distribution coefficient (dimensionless) See report Section 6.2 AD14 0.01 Average assumed fracture saturation Assumed value; used for sensitivity testing only AD15 0.01207 Average volume fraction gas in fractures Calculated; see text AD16 1.60E-05 CO2 diffusion coefficient in air (m2/sec) See report Section 4.1.2 AD17 5.00E+00 Tortuosity-dispersion coefficient Fitting parameter (value shown is for SD-12) AD18 3.84E-12 14C decay constant (sec-1) Accepted data AD19 0.1065 Average volume fraction liquid Calculated; see text AD20 100 Reference 14C activity See report Section 4.1.2 ANL-EBS-MD-000033 REV 00 ICN 1 XI-9 July 2000 Table XI-2 Comparison of Calculated CO2 Flux Values with Hand Calculations Abstracted Abstracted Vol. Water x CO2 Flux Hand-Calc. 14C Activity CO2 Conc. Thickness for Decay Value pmc Conc. (mg/l) Product (kg/m2-sec) (kg/m2-sec) 95 100 5.401 1.970E-12 1.970E-12 80 100 3.338 1.025E-12 1.025E-12 65 100 2.986 7.452E-13 7.452E-13 50 144 9.695 2.681E-12 2.681E-12 40 144 3.727 8.243E-13 8.243E-13 35 144 9.243 1.789E-12 1.789E-12 30 50 7.874 4.536E-13 4.536E-13 25 50 3.803 1.825E-13 1.825E-13 85 50 18.187 2.968E-12 2.968E-12 70 110 4.086 1.208E-12 1.208E-12 60 110 18.668 4.731E-12 4.731E-12 Table XI-3 Comparison of Calculated Exponent Coefficients with Hand-Calculated Values Average Net Hand Infiltration Infiltration Flux Spreadsheet Calculated State (mm/yr) Value (Cell) Value Lower 0.56 -4.28E-03 (AD22) -4.284E-03 Median 5.98 -1.84E-03 (AD23) -1.838E-03 Upper 14.56 -8.59E-04 (AD22) -8.592E-04 Table XI-4 Comparison of Calculated 14C Activities with Hand-Calculated Values 14C Activity Hand Infiltration Depth Spreadsheet Calculated State (m) Value (Cell) Value Lower 99 65.44 (AF39) 65.46 396 18.34 (AF66) 18.36 Median 99 83.37 (AG39) 83.36 396 48.30 (AG66) 48.29 Upper 99 91.85 (AH39) 91.85 396 71.17 (AH66) 71.16 ANL-EBS-MD-000033 REV 00 ICN 1 XII-1 July 2000 ATTACHMENT XII SOFTWARE ROUTINE DOCUMENTATION FOR BOREHOLE 14C ACTIVITY DATA PLOTTING AND FITTING SPREADSHEETS XII.1 ROUTINE IDENTIFICATION This Attachment describes the initial issue of software routines: • gasC14-SD-7-1996dataV1.2.xls Version 1.1 • gasC14-NRG-5-1996dataV1.2.xls Version 1.1 • gasC14-UZ-6-1995dataV1.2.xls Version 1.1 • gasC14-UZ-1-1985dataV1.2.xls Version 1.1 These routines are Excel 97 (SR-2) spreadsheets. The source codes have been submitted in electronic form (Attachment I). The routine was run on a Dell Poweredge 2200 PC (Pentium Pro; Windows 95 4.00.950 B). The spreadsheet is classified as a routine per AP-SI.1Q, and is qualified by this Attachment. XII.2 ROUTINE PURPOSE AND DESCRIPTION The purpose of these four functionally equivalent routines is to assemble data from boreholes SD-7, NRG-5, UZ-6, and UZ-1, consisting of in situ gas-phase and porewater 14C activity. Each routine compiles and plots CO2 data from a different borehole, for comparison to an exponential solution for 14C activity vs. depth. The result is a plot showing measured data and the exponential solution, and a key parameter is adjusted to control fit to the measured data. XII.3 ROUTINE DESCRIPTION XII.3.1 Equivalent Worksheets: gasC14-SD-7-1996dataV1.2, gasC14-NRG-5- 1996dataV1.2, gasC14UZ-6-1995dataV1.2, and gasC14UZ-1- 1985dataV1.2 This worksheet (referring to all four) has these functions: 1) compile data on 14C activity vs. depth from the respective boreholes, and 2) plot the exponential solution for 14C activity vs. depth (developed in Section 6.2) and compare graphically with measured data. 14C Activity Data Columns A through I contain data from the respective boreholes, which are copied from the Technical Data Management System, accessed using the Data Tracking Numbers (DTNs) cited in Section 8.3.2 provided. The data from the boreholes UZ-6/6s, UZ-1, NRG-5, and SD-7 are recovered over the range of borehole depth for each of the respective boreholes. The analysis performed for each of the respective borehole is valid over the range of depth of ANL-EBS-MD-000033 REV 00 ICN 1 XII-2 July 2000 each borehole. The data consist of 14C analyses of borehole gas samples, plus associated sample numbers, depth information, and other ancillary descriptive fields. Importantly, the types of ancillary fields vary among the data records copied, but they are readily traced to the source data. For all data records, the 14C activity is stated in units of percent modern carbon (pmc). For much of the data copied, a representative single-valued depth in meters must be calculated from the depth information provided in the data records. Where a single value of the depth is provided in units of feet, it is converted to meters. Where the endpoints of a depth range are provided, the midpoint of the range is calculated and converted to meters. The columns in each data record are shifted so that Column F always contains the calculated single-valued depth values, and Column C always contains the 14C activity. The other columns vary according to the structure of the individual data records (i.e. DTNs). The end result of the foregoing discussion is Column C with 14C activity, and Column F with depth in meters. These data are plotted with the exponential function discussed below. Plot the Exponential Solution for 14C Activity vs. Depth Columns J through N implement the exponential solution developed in the text for 14C activity vs. depth in the UZ, which is based on steady-state, retarded, 1-D advectivedispersive transport: ( ) .. .. . .. .. . . . . . . . . . f f + f f . + - = gas gas d liquid gas gas gas 14 2 d 2 d in 14 14 D 2 K D 4 K u uK z exp aa (XII-1) where u = Advective velocity (based on flux divided by fliquid) Kd = Partition coefficient for CO2 between the immobile liquid phase and the gas phase, in th UZ (Section 6.2; assigned a dimensionless value of 53.1) fgas = Average fracture porosity in the UZ, corrected for fracture saturation Dgas = Effective dispersion-diffusion coefficient (fitting parameter; m2/sec) fliquid = Average liquid-filled porosity in the UZ The input data used with Eq. XII-1 in this worksheet are described in more detail in the documentation of spreadsheet routine: gasC14-SD-12-1996dataV1.2.xls, Worksheet: gas & porewater C-14. The same input values are used with this routine, except for the tortuositydispersion coefficient in Cell J16, which is adjusted in each of the subject routines to control the fit to measured data. A summary of the input data for this portion of the worksheet is shown in Table XII-1. The coefficient of z, in Eq. XII-1 is calculated for the lower, median, and upper infiltration values, in Cells J22, J23, and J24, respectively. Columns J and K are used to set up a column of depth (z) values, in Range K30:K70. Equation XII-1 is calculated in Columns L, M, and N, for the lower, median, and upper infiltration values, respectively (Rows 30 through 70). These calculated results are plotted against depth (Column K) in Figure 1. The tortuosity-dispersion coefficient in Cell J16 is adjusted to control the fit of the calculated curves for lower, median, and upper infiltration, to the measured data. The upper infiltration ANL-EBS-MD-000033 REV 00 ICN 1 XII-3 July 2000 curve is generally above the measured data (i.e. greater 14C activity at all depths), which is appropriate because few locations at the site have present-day net infiltration as great as 14.56 mm/yr (Cell J8). The tortuosity-dispersion coefficient is adjusted so that the lower infiltration curve is approximately below the measured data (less 14C activity), and most of the measured data in the host rock depth interval (Figure 1) lie between the lower infiltration curve and the mean infiltration curve (average infiltration over the site). XII.4 VALIDATION TEST CASE Statement of Applicability The results of these routines meet the objectives, and have been found by comparing the values from hand calculations to worksheet calculations. The worksheet calculations accurately perform the required numerical manipulations, so the routines are therefore appropriate and valid for the range of parameters obtained from the data sources. It should be noted that the 1-D mass transfer model Eq. XII-1 involves some approximations and assumptions that may restrict its use (these are discussed in Sections 4.1.2, 5.2, and 6.2 of the text). XII.4.1 Worksheet: C-14 activity vs. depth Much of this worksheet consists of data copied from other worksheets and sources, or simple calculations based on those data. The accuracy of these results is verified by comparing the results of hand calculations to the worksheet calculations. In addition, there are several ranges containing calculations, that are verified by comparison to hand calculations as described below. Exponent Coefficient The coefficient of depth (z) in the exponent of Eq. XI-1 is calculated in Cells J22, J23, and J24, for lower, median, and upper infiltration conditions, respectively. Comparison of spreadsheet values from these cells with hand calculations is shown in Table XII-2. Input data for the hand calculations are listed in Table XII-1. The hand-calculated values agree closely with the spreadsheet values in this table. Calculated 14C Activity The resulting 14C activity calculated using Eq. XII-1 is calculated for lower, median, and upper infiltration conditions in Ranges L30:L70, M30:M70, and N30:N70, respectively. The same formula is copied to all cells in each range, with automatic indexing of precedent cells, so it is necessary to verify only a few representative calculations by hand calculation. Comparison of a few representative spreadsheet values with hand calculations, is shown in Table XII-3. The input depth is obtained from Range K30:K70, the 14C activity at the surface is from Cell J20, and the exponent coefficients are from the cells discussed above. The handcalculated values agree closely with the spreadsheet values in this table. ANL-EBS-MD-000033 REV 00 ICN 1 XII-4 July 2000 Table XII-1 Input Data for Fitting Exponential Solution to Observed 14C Activity vs. Depth Cell Value Description Source J3 0.56 Aqueous flux - lower average (mm/yr) Spreadsheet file “infiltration.xls” J4 1.77778E-11 Aqueous flux (m/sec) Calculated J5 5.98 Aqueous flux - medial average (mm/yr) Spreadsheet file “infiltration.xls” J6 1.89841E-10 Aqueous flux (m/sec) Calculated J7 14.56 Aqueous flux - upper average (mm/yr) Spreadsheet file “infiltration.xls” J8 4.62222E-10 Aqueous flux (m/sec) Calculated J9 1.00E+03 CO2 concentration in air (ppmv) Section 4.1.2 of text J10 94.0 CO2 concentration in porewater (mg/l) Section 4.1.2 of text J11 8.826E+04 Reference pressure (Pa) Avg. total pressure at the potential repository horizon (l4c4 location; Section 4.1.1) J12 303.0 Reference temperature (K) Section 4.1.1 of text J13 53.1 Distribution coefficient (dimensionless) Section 6.2 of text J14 0.01207 Average volume fraction gas in fractures Calculated in spreadsheet routine: gasC14-SD-12-1996dataV1.2.xls, Worksheet: gas & porewater C-14 J15 1.60E-05 CO2 diffusion coefficient in air (m2/sec) Section 4.1.2 of text J16 1.30E+01 Tortuosity-dispersion coefficient Fitting parameter (adjusted for each borehole; composite value representing all boreholes shown) J17 3.84E-12 14C decay constant (sec-1) Accepted data J18 0.1065 Average volume fraction liquid Calculated in spreadsheet routine: gasC14-SD-12-1996dataV1.2.xls, Worksheet: gas & porewater C-14 J19 100 Reference 14C activity Section 4.1.2 of text ANL-EBS-MD-000033 REV 00 ICN 1 XII-5 July 2000 Table XII-2 Comparison of Calculated Exponent Coefficients with Hand-Calculated Values (spreadsheet routine: gasC14-SD-7-1996dataV1.2) Average Net Hand Infiltration Infiltration Flux Spreadsheet Calculated State (mm/yr) Value (Cell) Value Lower 0.56 -1.62E-03 (J22) -1.619E-03 Median 5.98 -1.15E-03 (J23) -1.149E-03 Upper 14.56 -7.22E-04 (J24) -7.233E-04 Table XII-3 Comparison of Calculated 14C Activities with Hand-Calculated Values (spreadsheet routine: gasC14-SD-7-1996dataV1.2) 14C Activity Hand Infiltration Depth Spreadsheet Calculated State (m) Value (Cell) Value Lower 135 80.38 (L39) 80.37 540 41.74 (L66) 41.72 Median 135 85.64 (M39) 85.63 540 53.80 (M66) 53.77 Upper 135 90.71 (N39) 90.70 540 67.71 (N66) 67.67 ANL-EBS-MD-000033 REV 00 ICN 1 XIII-1 July 2000 ATTACHMENT XIII SOFTWARE ROUTINE DOCUMENTATION FOR LABORATORY EVAPORATION DATA NORMATIVE MINERAL ASSEMBLAGE SPREADSHEETS ROUTINE IDENTIFICATION This attachment describes the initial issue of routines “normative_hiCO2_SPWV1.2.xls” Version 1.2 and “normative_hiCO2_synJ13V1.2.xls Version 1.2”. These are Excel 97 (SR-2) spreadsheets. Submittal of the source files in electronic form is described in Attachment I. Spreadsheets “normative_hiCO2_SPWV1.2.xls” and “normative_hiCO2_synJ13V1.2.xls” are classified as routines per AP-SI.1Q, and are qualified by this Attachment. The routines execute the expected mathematical operations accurately, and are therefore appropriate. These routines were run on a Dell Poweredge 2200 PC (Pentium Pro; Windows 95 4.00.950 B). ROUTINE PURPOSE The purpose of these routines is to calculate a normative mineral assemblage that forms when a water of specified composition is taken to dryness. This result is used to assign mineral precipitates to zones within the Engineered Barrier System (EBS) where waters evaporate to dryness. ROUTINE DESCRIPTION (“normative_hiCO2_synJ13V1.2.xls”) Input data consists of the influent water composition, specifically the following constituents: Ca, Cl–, F–, HCO3 –, K, Mg, Na, NO3 –, SO4 2–, Si(aq), and Al. In this routine the species are then treated as Ca2+, Cl–, F–, HCO3 –, K+, Mg2+, Na+, NO3 –, SO4 2–, Si(aq), and Al3+. Water composition data are input in units of mg/L in Worksheet: “Influent Water” Column B. These values are converted to molal units (mol/kg) in Column D, using the formula weights in Column C, and using the approximation for dilute waters that 1 molar ˜ 1 molal (i.e. solution density is approximately the same as that of pure water). The water composition data in molal units are linked to Worksheet: “Evaporation” Row 4. In this worksheet a series of calculations is performed starting in Row 6 and ending in Row 52. Each normative precipitate is evaluated in turn. The process starts with niter (KNO3). In Column K (Cell K6) the value is set to the smaller of the molalities for K+ and NO3 - in Row 4. This value becomes the molality of niter produced from 1 kg of input solution. The same value is subtracted from the molalities of K+ and NO3 - in solution, and the results are entered on Row 7 (Cells C7 and F7, respectively). A similar calculation is then done for Na-niter (NaNO3). In Column K (Cell K9) the value is set to the smaller of the molalities for Na+ and NO3 - in Row 7. This value becomes the molality of Na-niter produced from 1 kg of input solution. The molality is subtracted from the molality in solution, and entered on Row 10 (Cells C10 and E10). Similar calculations are then done for fluorite (CaF2), villiaumite (NaF), sylvite (KCl), halite (NaCl), Mg-smectite (Mg0.165Al2.33Si3.67O10(OH)2), Ca-smectite (Ca0.165Al2.33Si3.67O10(OH)2), Na-smectite (Na0.333Al2.33Si3.67O10(OH)2), thenardite (Na2SO4), anhydrite (CaSO4), ANL-EBS-MD-000033 REV 00 ICN 1 XIII-2 July 2000 tachyihydrite (CaMg2Cl6O10:12H2O), calcite (CaCO3), magnesite (MgCO3), thermonatrite (Na2CO3:H2O), and amorphous silica (SiO2). For each normative precipitate the calculation is the same except that: 1) the formulae used in Column K will differ depending on the constituents and the stiochiometry for each mineral, and 2) the formulae used to change the composition of the remaining solution in Columns A through J will differ also. The same type of calculation is done for all of the other normative precipitates, which are listed in Worksheet: “Evaporation” Column M. If the precipitates are identified appropriately for the input water composition, and calculated in an appropriate order, by the end of the process all of the solution constituents will be used and the concentrations shown on Row 52 will be zero. The selection of precipitates and the order of calculation is described in the EBS Physical and Chemical Environment Analysis/Model Report, Section 6.5. ROUTINE DESCRIPTION (“normative_hiCO2_SPWV1.2.xls”) The spreadsheet “normative_hiCO2_SPWV1.2.xls” is exactly the same as the other routine described above, except that a different water composition is used as input (Worksheet: “Influent Water” Column B). The same chemical consitituents are quantified. The input composition for synthetic porewater that is used in this routine was obtained from the EBS Physical and Chemical Environment Analysis/Model Report, Section 4.1.5 VALIDATION TEST CASE The accuracy of this routine is determined by documentation of hand-calculations. For each calculation the following are verified: • The evaluation in Column K uses the correct stoichiometry for the mineral. • Changes to the solution concentrations of the constituents are correct. • Other solution species compositions do not change. The results of comparison of spreadsheet results with hand calculations are shown in Table XIII-1. The indicated cells compare to file: “normative_hiCO2_synJ13V1.2.xls” Worksheet: “Evaporation”. Small differences are attributed to round-off. These results demonstrate that the routine performs the operations accurately, so the routine are therefore appropriate and valid for the range of parameters obtained from the data sources. The file: “normative_hiCO2_SPWV1.2.xls” has exactly the same structure and formulae as the file tested above. By inference, this routine also performs the operations accurately, and is determined to be valid for its intended use. ANL-EBS-MD-000033 REV 00 ICN 1 XIII-3 July 2000 Table XIII-1 Comparison of Spreadsheet Results with Hand-Calculations for Routine “normative_hiCO2_synJ13V1.2.xls” Mineral Constituents Remaining Conc. Hand Calc. Moles Produced (Compare to Cell) Hand Calc. New Conc. (Compare to Cell) Niter (KNO3) K+ 1.330E-4 1.274E-4 (K6) 5.590E-6 (F7) NO3 - 1.274E-4 0 (C7) Na-Niter Na+ 1.966E-3 0 (K9) 1.966E-3 (E10) (NaNO3) NO3 - 0 0 (C10) Fluorite (CaF2) Ca2+ 1.447E-4 6.263E-5 (K12) 8.208E-5 (G13) F- 1.253E-4 0 (D13) Villiaumite Na+ 1.966E-3 0 (K15) 1.966E-3 (E16) (NaF) F- 0 0 (D16) Sylvite (KCl) K+ 5.590E-6 5.590E-6 (K18) 0 (F19) Cl- 2.031E-4 1.975E-4 (A19) Halite (NaCl) Na+ 1.966E-3 1.975E-4 (K21) 1.770E-3 (E22) Cl- 1.975E-4 0 (A22) Mg-smectite Mg2+ 8.638E-5 0 (K24) 8.638E-5 (H25) (Mg0.165Al2.33 Al3+ 0 0 (J25) Si3.67O10(OH)2) Si(aq) 3.702E-4 3.702E-4 (I25) Ca-smectite Ca2+ 8.208E-5 0 (K27) 8.208E-5 (G28) (Ca0.165Al2.33 Al3+ 0 0 (J28) Si3.67O10(OH)2) Si(aq) 3.702E-4 3.702E-4 (I28) Na-smectite Na+ 1.76E-3 0 (K30) 1.76E-3 (E31) (Na0.33Al2.33 Al3+ 0 0 (J31) Si3.67O10(OH)2) Si(aq) 3.702E-4 3.702E-4 (I31) Thenardite (Na2SO4) Na+ 1.770E-3 1.926E-4 (K33) 1.385E-3 (E34) SO4 2+ 1.926E-4 0 (B34) Anhydrite (CaSO4) Ca2+ 8.208E-5 0 (K36) 8.208E-5 (G37) SO4 2+ 0 0 (B37) Tachyihydrite Ca2+ 8.208E-5 0 (K39) 8.208E-5 (G40) Mg2+ 8.638E-5 8.638E-5 (H40) (CaMg2Cl6O10:12H2O) Cl- 0 0 (A40) Calcite (CaCO3) Ca2+ 8.208E-5 8.208E-5 (K42) 0 (G43) Celestite (MgCO3) Mg2+ 8.638E-5 8.638E-5 (K45) 0 (H46) Thermonatrite Na+ 1.385E-3 6.924E-4 (K48) 0 (E49) (Na2CO3:H2O) Amor. Silica (SiO2) Si(aq) 3.702E-4 3.702E-4 (K51) 0 (I52) ANL-EBS-MD-000033 REV 00 ICN 1 XIV-1 July 2000 ATTACHMENT XIV SOFTWARE ROUTINE DOCUMENTATION FOR IN-DRIFT UPPER BACKFILL PREDICTIVE MODEL NORMATIVE MINERAL ASSEMBLAGE SPREADSHEETS ROUTINE IDENTIFICATION This attachment describes the initial issue of routine “normative_hiCO2_l4c4_ui-zone34- 500.xlsV1.2” Version 1.2. This is an Excel 97 spreadsheet. Submittal of the source files in electronic form is described in Attachment I. Spreadsheet “normative_hiCO2_l4c4_ui-zone34-500.xlsV1.2”is classified as a routine per AP-SI.1Q, and is qualified by this Attachment. The routine executes the expected mathematical operations accurately, and is therefore appropriate. This routine was run on a Dell Poweredge 2200 PC (Pentium Pro; Windows 95 4.00.950 B). ROUTINE PURPOSE The purpose of this routine is to calculate a normative mineral assemblage that forms when a water of specified composition is taken to dryness. The spreadsheet then calculates the total mass of precipitates that form in Zone 3/4 of the Engineered Barrier System (EBS) model during Time Period 2 (300 to 700 yr; nominally 500 yr). The calculations are valid over this range of time. In addition, the spreadsheet calculates the mass of liquid, and the number of years, required to redissolve this mass of precipitates given a solution of a specified composition. ROUTINE DESCRIPTION (“normative_hiCO2_l4c4_ui-zone34-500.xlsV1.2”) Input data include influent water compositions, specifically the following constituents: Ca, Cl–, F–, HCO3 –, K, Mg, Na, NO3 –, SO4 2–, Si(aq), and Al. In this routine the species are then treated as Ca2+, Cl–, F–, HCO3 –, K+, Mg2+, Na+, NO3 –, SO4 2–, Si(aq), and Al3+. Description of the Evaporation Calculation Water composition data are obtained from the “Current Basis” table in EQ3NR output file describing the composition of water in composite Zone 1/2, during Time Period 2. Concentrations in molal units are transferred to Worksheet: EQ3-6 Data Input, Range B21:B38. These values are sorted, and only the above listed constituents are retained, in Range J99:J108. These are the input data for the evaporation calculation. They are transferred to Worksheet: Zone1-2water, Row 4, from where they are transferred to Worksheet: 300-700 yr, Row 4. In Worksheet: 300-700 yr, a series of calculations is performed starting in Row 6 and ending in Row 52, and Columns A through M. Each normative precipitate is evaluated in turn. The process starts with niter (KNO3). In Column K (Cell K6) the value is set to the smaller of the molalities for K+ and NO3 - in Row 4. This value becomes the molality of niter produced from 1 kg of input solution. The same value is subtracted from the molalities of K+ and NO3 - in solution, and the results are entered on Row 7 (Cells C7 and F7, respectively). A similar calculation is then done for Na-niter (NaNO3). In Column K (Cell K9) the value is set to the smaller of the molalities for Na+ and NO3 - in Row 7. This value becomes the ANL-EBS-MD-000033 REV 00 ICN 1 XIV-2 July 2000 molality of Na-niter produced from 1 kg of input solution. The molality is subtracted from the molality in solution, and entered on Row 10 (Cells C10 and E10). Similar calculations are then done for the following minerals (listed in order): fluorite (CaF2), villiaumite (NaF), sylvite (KCl), halite (NaCl), Mg-smectite (Mg0.165Al2.33Si3.67O10(OH)2), Ca-smectite (Ca0.165Al2.33Si3.67O10(OH)2), Na-smectite (Na0.333Al2.33Si3.67O10(OH)2), thenardite (Na2SO4), anhydrite (CaSO4), tachyihydrite (CaMg2Cl6O10:12H2O), calcite (CaCO3), magnesite (MgCO3), thermonatrite (Na2CO3:H2O), and amorphous silica (SiO2). The same type of calculation is done for all of the other minerals, in the order that they are listed in Worksheet: 300-700 yr, Column M. For each mineral the calculation is the same except that: 1) the formulae used in Column K will differ depending on the constituents and the stiochiometry for each mineral, and 2) the formulae used to change the composition of the remaining solution in Columns A through J will differ also. If the minerals are identified appropriately for the input water composition, and calculated in appropriate order, by the end of the process all of the solution constituents will be used and the concentrations shown on Row 52, Columns A through J, will be zero. The selection of precipitates and the order of calculation is described in the EBS Physical and Chemical Environment Analysis/Model Report, Section 6.5. The total mass accumulation for each precipitate is calculated in Worksheet: 300-700 yr, Columns P, Q, and R. In Column P the accumulation of each precipitate in moles per meter of drift is calculated from Mi = SKi.t (XIV-1) where Mi = moles of the ith mineral precipitate (mol/m; Column P) S = liquid inflow rate to Zone 3/4 per meter of drift (kg/m-sec) during Time Period 2 (Cell S1) Ki = rate of precipitation (Column K) .t = duration of Time Period 2 (400 yr) The result calculated from (XIV-1) is transferred from Column P to Worksheet: Zone 3-4 Ppt Summary, Row 5. A further calculation in that worksheet converts each mineral to a mole fraction, i.e. to a fraction of the total moles of all precipitates. This can be written . = i i i i M / MF (XIV-2) where Fi = mole fraction Returning the discusion to Worksheet: 300-700 yr, the accumulation in moles per meter is converted to mass per meter in Column R, using Gi = MiWi (XIV-3) where Gi = mass of the ith mineral precipitate (kg/m; Column R) Wi = molecular weight of the ith precipitate (kg/mol; Column Q) ANL-EBS-MD-000033 REV 00 ICN 1 XIV-3 July 2000 and the total mass of all precipitates is summed in Cell R54. Description of the Dissolution Calculation This calculation determines the total mass of liquid and the time required to redissolve the precipitate accumulation, given a specified removal rate for each precipitate. The removal rates are calculated by EQ6 in units of moles precipitate dissolved per kg of liquid inflow to the zone. As input to this calculation, EQ6 output file describing dissolution of precipitates and salts from composite Zone 3/4, during Time Period 3, was summarized by copying into File: “water34_3A_qtz.xls” which was copied directly into Worksheet: EQ3-6 Data Input, Rows 118 through 209. The removal rates are transferred from Worksheet: EQ3-6 Data Input, Range D172:D180 plus Cell F190, to Worksheet: 700-1500 yr, Column C (aligning the data with the correct mineral name in Column A). The mass of liquid required to redissolve each precipitate is calculated in Column D, using Li = MiRi (XIV-4) where Li = liquid mass for the ith precipitate, per meter of drift (kg/m) Ri = removal rate of the ith precipitate per kg of influent liquid (mol/kg) The time for removal is calculated in Column E, using Ti = Li/Q (XIV-5) where Ti = time to dissolve the ith precipitate (converted from sec to yr) Q = rate of liquid inflow to Zone 3/4 (kg/m-sec) The minimum liquid mass and flow time for redissolution of all precipitates are determined from the values calculated in Columns D and E, and representative values are estimated and entered manually in Cells D56 and E56, respectively. TEST CASE The accuracy of this routine is determined using a test case, with documentation of handcalculations. File: “normative_hiCO2_testcase34” is a copy of routine “normative_hiCO2_l4c4_ui-zone34-500.xlsV1.2” except that the composition of a synthetic water is entered in Worksheet: Zone1-2water, Row 4, and test values (0.001) are entered for all removal rates. Documentation of electronic submittal of the test case file is provided in Attachment I. For accuracy determination, the results in File: “normative_hiCO2_testcase34.xls” Worksheet: 300-700 yr, Column K are compared with the hand-calculated values in Table XIV-1. Also, Columns P and R of this worksheet are hand-calculated in Table XIV-2. The values match, with small differences attributed to round-off. These results demonstrate that the routine performs the operations accurately. ANL-EBS-MD-000033 REV 00 ICN 1 XIV-4 July 2000 The mole fraction calculations in Worksheet: Zone 3-4 Ppt Summary, are also evaluated by comparison to hand calculations. Using File: “normative_hiCO2_testcase34.xls” the computed mole fractions in Row 12 are compared with hand-calculated values in Table XIV-2. The values match, with small differences attributed to round-off. These results demonstrate that the routine performs the operations accurately. Finally, the redissolution calculations in File: “normative_hiCO2_testcase34.xls” Worksheet: 700-1500 yr, are hand-calculated in Table XIV-3. Again, the values match, with small differences attributed to round-off. These results demonstrate that the routine performs the operations accurately. This routine has been compared with hand calculations and found to execute the required operations accurately. The routine are therefore appropriate and valid for the range of parameters obtained from the data sources. This routine is valid for input data that describe the concentrations of the same constituents listed above. The final concentrations in Row 52 of Worksheet: 300-700 yr, must be zero (or nearly so) for the normative model to be valid. This is a restriction on the chemical system that can be modeled (a variation on the normative approach, with new minerals supported by new test data, could be needed). In addition, specific results from EQ3NR and EQ6 calculations are needed to implement this routine. ANL-EBS-MD-000033 REV 00 ICN 1 XIV-5 July 2000 Table XIV-1 Comparison of Spreadsheet Mineral Assemblage Results with Hand- Calculations for Routine “normative_hiCO2_testcase.xls” Mineral Constituents Remaining Conc. Moles Produced (Compare to Cell) New Conc. (Compare to Cell) Niter (KNO3) K+ 1.330E-4 1.274E-4 (K6) 5.590E-6 (F7) NO3 - 1.274E-4 0 (C7) Na-Niter Na+ 1.966E-3 0 (K9) 1.966E-3 (E10) (NaNO3) NO3 - 0 0 (C10) Fluorite (CaF2) Ca2+ 1.447E-4 6.263E-5 (K12) 8.208E-5 (G13) F- 1.253E-4 0 (D13) Villiaumite Na+ 1.966E-3 0 (K15) 1.966E-3 (E16) (NaF) F- 0 0 (D16) Sylvite (KCl) K+ 5.590E-6 5.590E-6 (K18) 0 (F19) Cl- 2.031E-4 1.975E-4 (A19) Halite (NaCl) Na+ 1.966E-3 1.975E-4 (K21) 1.770E-3 (E22) Cl- 1.975E-4 0 (A22) Mg-smectite Mg2+ 8.638E-5 0 (K24) 8.638E-5 (H25) (Mg0.165Al2.33 Al3+ 0 0 (J25) Si3.67O10(OH)2) Si(aq) 3.702E-4 3.702E-4 (I25) Ca-smectite Ca2+ 8.208E-5 0 (K27) 8.208E-5 (G28) (Ca0.165Al2.33 Al3+ 0 0 (J28) Si3.67O10(OH)2) Si(aq) 3.702E-4 3.702E-4 (I28) Na-smectite Na+ 1.76E-3 0 (K30) 1.76E-3 (E31) (Na0.33Al2.33 Al3+ 0 0 (J31) Si3.67O10(OH)2) Si(aq) 3.702E-4 3.702E-4 (I31) Thenardite (Na2SO4) Na+ 1.770E-3 1.926E-4 (K33) 1.385E-3 (E34) SO4 2+ 1.926E-4 0 (B34) Anhydrite (CaSO4) Ca2+ 8.208E-5 0 (K36) 8.208E-5 (G37) SO4 2+ 0 0 (B37) Tachyihydrite Ca2+ 8.208E-5 0 (K39) 8.208E-5 (G40) Mg2+ 8.638E-5 8.638E-5 (H40) (CaMg2Cl6O10:12H2O) Cl- 0 0 (A40) Calcite (CaCO3) Ca2+ 8.208E-5 8.208E-5 (K42) 0 (G43) Magnesite (MgCO3) Mg2+ 8.638E-5 8.638E-5 (K45) 0 (H46) Thermonatrite Na+ 1.385E-3 6.924E-4 (K48) 0 (E49) (Na2CO3:H2O) Amor. Silica (SiO2) Si(aq) 3.702E-4 3.702E-4 (K51) 0 (I52) ANL-EBS-MD-000033 REV 00 ICN 1 XIV-6 July 2000 Table XIV-2 Comparison of Spreadsheet Mole Fraction and Cumulative Mass Results with Hand-Calculations for Routine “normative_hiCO2_testcase.xls” Mineral Moles Produced, (mol/kg) A Total Moles (mol/m) B Mole Fraction C Molar Mass (kg/mol) Total Mass (kg/m) D Niter 1.274E-4 4.036 7.012E-2 1.011E-01 0.4080 Na-Niter 0 0 0 8.500E-02 0 Fluorite 6.263E-5 1.984 3.447E-2 7.808E-02 0.1549 Villiaumite 0 0 0 4.199E-02 0 Sylvite 5.590E-6 0.1771 3.077E-3 7.455E-02 0.01320 Halite 1.975E-4 6.257 0.1087 5.844E-02 0.3657 Mg-smectite 0 0 0 3.667E-01 0 Ca-smectite 0 0 0 3.676E-01 0 Na-smectite 0 0 0 1.420E-01 0 Thenardite 1.926E-4 6.102 0.1060 1.420E-01 0.8665 Anhydrite 0 0 0 1.361E-01 0 Tachyihydrite 0 0 0 6.776E-01 0 Calcite 8.208E-5 2.601 4.519E-2 1.001E-01 0.2604 Magnesite 8.638E-5 2.737 4.755E-2 8.431E-02 0.2308 Thermonatrit 6.924E-4 21.94 0.3812 1.240E-01 2.721 Amor. Silica 3.702E-4 11.73 0.2038 6.009E-02 0.7049 Totals 1.817E-3 57.56 1.0000 5.725 Notes: A. Compare with File: “normative_hiCO2_testcase34.xls” Worksheet: 300-700 yr, Column K B. Multiply by the total inflow to Zone 3/4 in Time Period 2 (2.510 x 10-6 kg/m-sec for 400 yr = 3.168 x 104 kg/m). Compare with Worksheet: 300-700 yr, Column P. C. Calculated as fraction of Total Moles. Compare with Worksheet: Zone 3-4 Ppt Summary, Row 12. D. Multiply Total Moles by Molar Mass. Compare with Worksheet: 300-700 yr, Column R. ANL-EBS-MD-000033 REV 00 ICN 1 XIV-7 July 2000 Table XIV-3 Comparison of Spreadsheet Redissolution Time and Liquid Mass Results with Hand-Calculations for Routine “normative_hiCO2_testcase.xls” Mineral Total Moles (mol/m) A Removal Rate (mol/kg) B Mass Water to Remove (kg/m) C Time to Remove (yr) D Niter 4.036 1.000E-3 4036 123.1 Na-Niter 0 N/A N/A N/A Fluorite 1.984 1.000E-3 1984 60.51 Villiaumite 0 N/A N/A N/A Sylvite 0.1771 N/A N/A N/A Halite 6.257 1.000E-3 6257 190.8 Mg-smectite 0 N/A N/A N/A Ca-smectite 0 N/A N/A N/A Na-smectite 0 N/A N/A N/A Thenardite 6.102 1.000E-3 6102 186.1 Anhydrite 0 N/A N/A N/A Tachyihydrite 0 N/A N/A N/A Calcite E 2.601 N/A N/A N/A Magnesite 2.737 N/A N/A N/A Thermonatrit 21.94 1.000E-3 2.194E4 669.2 Amor. Silica 11.73 1.000E-3 1.173E4 340.8 Totals 57.56 Notes: A. From Table XIV-2 B. Use 0.001 mol/kg removal rate for test case. “N/A” indicates zero accumulation so no calculation was done. C. Calculated from Total Moles divided by Removal Rate. Compare with Worksheet: 700-1500 yr, Column D. Bold entry indicates determining value; compare to Cell D56. D. Divide Mass Water to Remove by 1.039 x 10-6 kg/m-sec, and convert sec to yr. Compare with Worksheet: 700-1500 yr, Column E. Bold entries indicate determining values; compare to Cell E56. E. Calcite is precipitated during Time Period 3, so there is no removal. ANL-EBS-MD-000033 REV 00 ICN 1 XV-1 July 2000 ATTACHMENT XV SOFTWARE ROUTINE DOCUMENTATION FOR IN-DRIFT LOWER BACKFILL/INVERT PREDICTIVE MODEL NORMATIVE MINERAL ASSEMBLAGE SPREADSHEETS ROUTINE IDENTIFICATION This attachment describes the initial issue of routine “normative_hiCO2_l4c4_ui-zone56- 1000V1.2.xls” Version 1.2. This is an Excel 97 spreadsheet. Submittal of the source files in electronic form is described in Attachment I. Spreadsheet “normative_hiCO2_l4c4_ui-zone56-1000V1.2.xls”is classified as a routine per AP-SI.1Q, and is qualified by this Attachment. The routine executes the expected mathematical operations accurately, and is therefore appropriate. This routine was run on a Dell Poweredge 2200 PC (Pentium Pro; Windows 95 4.00.950 B). ROUTINE PURPOSE The purpose of this routine is to calculate a normative mineral assemblage that forms when a water of specified composition is taken to dryness. The spreadsheet then calculates the total mass of precipitates that form in Zone 5/6 of the Engineered Barrier System (EBS) model during Time Period 3 (700 to 1500 yr; nominally 1000 yr). The calculations are valid over this time range. In addition, the spreadsheet calculates the mass of liquid, and the number of years, required to redissolve this mass of precipitates given a solution of a specified composition. ROUTINE DESCRIPTION (“normative_hiCO2_l4c4_ui-zone56-1000V1.2.xls”) Input data include influent water compositions, specifically the following constituents: Ca, Cl–, F–, HCO3 –, K, Mg, Na, NO3 –, SO4 2–, Si(aq), and Al. In this routine the species are then treated as Ca2+, Cl–, F–, HCO3 –, K+, Mg2+, Na+, NO3 –, SO4 2–, Si(aq), and Al3+. Description of the Evaporation Calculation The composition of influent water to composite Zone 5/6 is obtained from the Current Basis table in EQ6 output files corresponding to composite Zone 3/4, Time Period 3A and Time Period 3B (Attachment I). These data are compiled in file: “water34_3A_qtz.xls” and file: “water34_3B_qtz.xls” whch are transferred to worksheet: EQ3-6 Data Input. The data for Time Period 3A are transferred to worksheet: Zone3-4water, Row 6, from where they are transferred to worksheet: 700-1500 yr, Row 4. The data for Time Period 3B are transferred to worksheet: Zone3-4water, Row 15, from where they are transferred to worksheet: 700-1500 yr, Row 66. In worksheet: 700-1500 yr, a series of normative precipitate calculations is performed twice, starting in Row 6 and ending in Row 52 for Time Period 3A water, and again starting in Row 68 and ending in Row 114 for Time Period 3B water. These calculations are restricted to Columns A through M. Within each set of calculations, each normative precipitate is evaluated in turn. The following discussion describes Rows 6 through 52, but applies also to Rows 68 through 114. The process starts with niter (KNO3). In Column K (Cell K6) the value is set to the smaller of the molalities for K+ and NO3 - in Row 4. This value becomes the molality of niter produced ANL-EBS-MD-000033 REV 00 ICN 1 XV-2 July 2000 from 1 kg of input solution. The same value is subtracted from the molalities of K+ and NO3 - in solution, and the results are entered on Row 7 (Cells C7 and F7, respectively). A similar calculation is then done for Na-niter (NaNO3). In Column K (Cell K9) the value is set to the smaller of the molalities for Na+ and NO3 - in Row 7. This value becomes the molality of Na-niter produced from 1 kg of input solution. The molality is subtracted from the molality in solution, and entered on Row 10 (Cells C10 and E10). Similar calculations are then done for the following minerals (listed in order): fluorite (CaF2), villiaumite (NaF), sylvite (KCl), halite (NaCl), Mg-smectite (Mg0.165Al2.33Si3.67O10(OH)2), Ca-smectite (Ca0.165Al2.33Si3.67O10(OH)2), Na-smectite (Na0.333Al2.33Si3.67O10(OH)2), thenardite (Na2SO4), anhydrite (CaSO4), tachyihydrite (CaMg2Cl6O10:12H2O), calcite (CaCO3), magnesite (MgCO3), thermonatrite (Na2CO3:H2O), and amorphous silica (SiO2). The same type of calculation is done for all of the other minerals, in the order that they are listed in worksheet: 700-1500 yr, Column M. For each mineral the calculation is the same except that: 1) the formulae used in Column K will differ depending on the constituents and the stiochiometry for each mineral, and 2) the formulae used to change the composition of the remaining solution in Columns A through J will differ also. If the minerals are identified appropriately for the input water composition, and calculated in appropriate order, by the end of the process all of the solution constituents will be used and the concentrations shown on Row 52, Columns A through J, will be zero (likewise those on Row 114). The selection of precipitates and the order of calculation is described in the EBS Physical and Chemical Environment Analysis/Model Report, Section 6.5. The total mass accumulation for each precipitate is calculated in worksheet: 700-1500 yr, Columns P through T. In Column P the accumulation of each precipitate in Zone 5/6, during Time Period 3A, in moles per meter of drift, is calculated from Mi = SKi.t (XV-1) where Mi = Moles of the ith mineral precipitate (mol/m; Column P) S = Liquid inflow rate to Zone 3/4 per meter of drift (kg/m-sec) during Time Period 3A (Cell R1) Ki = Rate of precipitation (Column K) .t = Duration of Time Period 3A (Cell R2) In Column Q the same formula (XV-1) is used to calculate the accumulation of each precipitate in Zone 5/6, during Time Period 3B, in moles per meter of drift. The duration of Time Period 3B is calculated from the total duration of Time Period 3 (Cell U1) minus the duration of Time Period 3A (Cell R2). Column R sums Columns P and Q, to calculate the total accumulation of each precipitate in moles per meter of drift. The result calculated in Column R is transferred to worksheet: Zone 5-6 Ppt Summary, Row 6. A further calculation in that worksheet converts each mineral to a mole fraction, i.e. to a fraction of the total moles of all precipitates. This can be written . = i i i i M / M F (XV-2) ANL-EBS-MD-000033 REV 00 ICN 1 XV-3 July 2000 where Fi = Mole fraction Returning the discusion to worksheet: 700-1500 yr, the accumulation in moles per meter is converted to mass per meter in Column T, using Gi = MiWi (XV-3) where Gi = Mass of the ith mineral precipitate (kg/m; Column T) Wi = Molecular weight of the ith precipitate (kg/mol; Column S) and the total mass of all precipitates is summed in Cell T54. Description of the Dissolution Calculation This calculation determines the total mass of liquid and the time required to redissolve the precipitate accumulation, given a specified removal rate for each precipitate. The removal rates are calculated by EQ6 in units of moles precipitate dissolved per kg of liquid inflow to the zone. As input to this calculation, EQ6 output data corresponding to Zone 5/6, Time Period 4A was copied into file: “water56_4A_qtz.xls” which was then copied directly into worksheet: EQ3- 6 Data Input, Rows 186 through 266. The removal rates are transferred from worksheet: EQ3-6 Data Input, Range D237:D246 plus Cell D254, to worksheet: 1500-2500 yr, Column C (aligning the data with the correct mineral name in Column A). The mass of liquid required to redissolve each precipitate is calculated in Column D, using Li = MiRi (XV-4) where Li = Liquid mass for the ith precipitate, per meter of drift (kg/m) Ri = Removal rate of the ith precipitate per kg of influent liquid (mol/kg) The time for removal is calculated in Column E, using Ti = Li/Q (XV-5) where Ti = Time to dissolve the ith precipitate (converted from sec to yr) Q = Rate of liquid inflow to Zone 5/6 (kg/m-sec) The minimum liquid mass and flow time for redissolution of all precipitates are selected from the values calculated in Columns D and E, and representative values are estimated and entered manually in Cells D56 and E56, respectively. TEST CASE The accuracy of this routine is determined using a test case, with documentation of handcalculations. file: “normative_hiCO2_testcase-56.xls” is a copy of routine “normative_hiCO2_l4c4_ui-zone56-1000V1.2.xls” except that the composition of a synthetic water is entered in worksheet: Zone3-4water, Row 6 and Row 15, and test values (0.001) are entered for all removal rates. Documentation of electronic submittal of the test case file is provided in Attachment I. ANL-EBS-MD-000033 REV 00 ICN 1 XV-4 July 2000 For accuracy determination, the results in file: “normative_hiCO2_testcase56.xls” worksheet: 700-1500 yr, Column K are compared with the hand-calculated values in Table XV-1. Also, Columns P and R of this worksheet are hand-calculated in Table XV-2. The values match, with small differences attributed to round-off. These results demonstrate that the routine performs the operations accurately. The mole fraction calculations in worksheet: Zone 5-6 Ppt Summary, are also evaluated by comparison to hand calculations. Using file: “normative_hiCO2_testcase56.xls” worksheet: Zone 5-6 Ppt Summary, the computed mole fractions in Row 13 are compared with handcalculated values in Table XV-2. The values match, with small differences attributed to round-off. These results demonstrate that the routine performs the operations accurately. Finally, the redissolution calculations in file: “normative_hiCO2_testcase56.xls” worksheet: 1500-2500 yr, are hand-calculated in Table XV-3. Again, the values match, with small differences attributed to round-off. These results demonstrate that the routine performs the operations accurately. This routine has been compared with hand calculations and found to execute the required operations accurately. The routine is therefore appropriate and valid for the range of parameters obtained from the data sources. This routine is valid for input data that describe the concentrations of the same constituents listed above. The final concentrations in Row 52 of Worksheet: 700-1500 yr, must be zero (or nearly so) for the normative model to be valid. This is a restriction on the chemical system that can be modeled (a variation on the normative approach, with new minerals supported by new test data, could be needed). In addition, specific results from EQ3NR and EQ6 calculations are needed to implement this routine. ANL-EBS-MD-000033 REV 00 ICN 1 XV-5 July 2000 Table XV-1 Comparison of Spreadsheet Mineral Assemblage Results with Hand- Calculations for Routine “normative_hiCO2_testcase56.xls” Mineral Constituents Remaining Conc. Moles Produced (Compare to Cell) New Conc. (Compare to Cell) Niter (KNO3) K+ 1.330E-4 1.274E-4 (K6) 5.590E-6 (F7) NO3 - 1.274E-4 0 (C7) Na-Niter Na+ 1.966E-3 0 (K9) 1.966E-3 (E10) (NaNO3) NO3 - 0 0 (C10) Fluorite (CaF2) Ca2+ 1.447E-4 6.263E-5 (K12) 8.208E-5 (G13) F- 1.253E-4 0 (D13) Villiaumite Na+ 1.966E-3 0 (K15) 1.966E-3 (E16) (NaF) F- 0 0 (D16) Sylvite (KCl) K+ 5.590E-6 5.590E-6 (K18) 0 (F19) Cl- 2.031E-4 1.975E-4 (A19) Halite (NaCl) Na+ 1.966E-3 1.975E-4 (K21) 1.770E-3 (E22) Cl- 1.975E-4 0 (A22) Mg-smectite Mg2+ 8.638E-5 0 (K24) 8.638E-5 (H25) (Mg0.165Al2.33 Al3+ 0 0 (J25) Si3.67O10(OH)2) Si(aq) 3.702E-4 3.702E-4 (I25) Ca-smectite Ca2+ 8.208E-5 0 (K27) 8.208E-5 (G28) (Ca0.165Al2.33 Al3+ 0 0 (J28) Si3.67O10(OH)2) Si(aq) 3.702E-4 3.702E-4 (I28) Na-smectite Na+ 1.76E-3 0 (K30) 1.76E-3 (E31) (Na0.33Al2.33 Al3+ 0 0 (J31) Si3.67O10(OH)2) Si(aq) 3.702E-4 3.702E-4 (I31) Thenardite (Na2SO4) Na+ 1.770E-3 1.926E-4 (K33) 1.385E-3 (E34) SO4 2+ 1.926E-4 0 (B34) Anhydrite (CaSO4) Ca2+ 8.208E-5 0 (K36) 8.208E-5 (G37) SO4 2+ 0 0 (B37) Tachyihydrite Ca2+ 8.208E-5 0 (K39) 8.208E-5 (G40) Mg2+ 8.638E-5 8.638E-5 (H40) (CaMg2Cl6O10:12H2O) Cl- 0 0 (A40) Calcite (CaCO3) Ca2+ 8.208E-5 8.208E-5 (K42) 0 (G43) Magnesite (MgCO3) Mg2+ 8.638E-5 8.638E-5 (K45) 0 (H46) Thermonatrite Na+ 1.385E-3 6.924E-4 (K48) 0 (E49) (Na2CO3:H2O) Amor. Silica (SiO2) Si(aq) 3.702E-4 3.702E-4 (K51) 0 (I52) ANL-EBS-MD-000033 REV 00 ICN 1 XV-6 July 2000 Table XV-2 Comparison of Spreadsheet Mole Fraction and Cumulative Mass Results with Hand-Calculations, Using Software Routine “normative_hiCO2_testcase56.xls” (for Time Periods 3A and 3B combined for the test case) Mineral Moles Produced, (mol/kg) A Total Moles (mol/m) B Mole Fraction C Molar Mass (kg/mol) Total Mass (kg/m) D Niter 1.274E-4 3.342 7.012E-2 1.011E-01 0.3379 Na-Niter 0 0 0 8.500E-02 0 Fluorite 6.263E-5 1.643 3.447E-2 7.808E-02 0.1283 Villiaumite 0 0 0 4.199E-02 0 Sylvite 5.590E-6 0.1466 3.077E-3 7.455E-02 0.01093 Halite 1.975E-4 5.181 0.1087 5.844E-02 0.3028 Mg-smectite 0 0 0 3.667E-01 0 Ca-smectite 0 0 0 3.676E-01 0 Na-smectite 0 0 0 1.420E-01 0 Thenardite 1.926E-4 5.052 0.1060 1.420E-01 0.7174 Anhydrite 0 0 0 1.361E-01 0 Tachyihydrite 0 0 0 6.776E-01 0 Calcite 8.208E-5 2.153 4.519E-2 1.001E-01 0.2155 Magnesite 8.638E-5 2.266 4.755E-2 8.431E-02 0.1911 Thermonatrit 6.924E-4 18.16 0.3812 1.240E-01 2.252 Amor. Silica 3.702E-4 9.711 0.2038 6.009E-02 0.5835 Totals 1.817E-3 47.66 1.0000 4.739 Notes: A. Compare with file: “normative_hiCO2_testcase56.xls” worksheet: 700-1500 yr, Column K B. Multiply by the total inflow to Zone 5/6 in Time Period 3 (for the test case, assigned a value of 1.039 x 10-6 kg/m-sec for 800 yr = 2.623 x 104 kg/m). Compare with worksheet: 700-1500 yr, Column T. C. Calculated from Total Moles, divided by sum of Total Moles. Compare with worksheet: Zone 5-6 Ppt Summary, Row 13. D. Multiply Total Moles by Molar Mass. Compare with worksheet: 700-1500 yr, Column T. ANL-EBS-MD-000033 REV 00 ICN 1 XV-7 July 2000 Table XV-3 Comparison of Spreadsheet Redissolution Time and Liquid Mass Results with Hand-Calculations for Routine “normative_hiCO2_testcase56.xls” Mineral Total Moles (mol/m) A Removal Rate (mol/kg) B Mass Water to Remove (kg/m) C Time to Remove (yr) D Niter 3.342 1.000E-3 3342 101.9 Na-Niter 0 N/A N/A N/A Fluorite 1.643 1.000E-3 1643 50.11 Villiaumite 0 N/A N/A N/A Sylvite 0.1466 1.000E-3 146.6 4.471 Halite 5.181 1.000E-3 5181 158.0 Mg-smectite 0 N/A N/A N/A Ca-smectite 0 N/A N/A N/A Na-smectite 0 N/A N/A N/A Thenardite 5.052 1.000E-3 5052 154.1 Anhydrite 0 N/A N/A N/A Tachyihydrite 0 N/A N/A N/A Calcite E 2.153 N/A N/A N/A Magnesite E 2.266 N/A N/A N/A Thermonatrite 18.16 1.000E-3 1.816E4 553.9 Amor. Silica 9.711 1.000E-3 9.711E3 296.2 Totals 47.66 Notes: A. From Table XV-2 B. Use 0.001 mol/kg removal rate for test case. “N/A” indicates zero accumulation so no calculation was done. C. Calculated from Total Moles divided by Removal Rate. Compare with worksheet: 1500-2500 yr, Column D. D. Divide Mass Water to Remove by 1.039 x 10-6 kg/m-sec, and convert sec to yr. Compare with worksheet: 1500-2500 yr, Column E. Bold entries indicate determining values; compare to Cells D56 and E56. E. Calcite is precipitated during Time Period 4 so no removal. ANL-EBS-MD-000033 REV 00 ICN 1 XVI-1 July 2000 ATTACHMENT XVI SOFTWARE ROUTINE DOCUMENTATION FOR MEASURED DATA FROM COLLOID SAMPLING ROUTINE IDENTIFICATION This attachment describes the initial issue of routine “GWcolloidsV1.2.xls” Version 1.2. This is an Excel 97 (SR-2) spreadsheet. Submittal of the source files in electronic form is described in Attachment I. Spreadsheet “GWcolloidsV1.2.xls”is classified as a routine per AP-SI.1Q, and is qualified by this Attachment. The routine executes the expected mathematical operations accurately, and is therefore appropriate. This routine was run on a Dell Poweredge 2200 PC (Pentium Pro; Windows 95 4.00.950 B). ROUTINE PURPOSE The purpose of this routine is to manipulate measured data from colloid sampling in well intervals from the vicinity of Yucca Mountain, to implement the EBS colloid model. This includes statistical manipulation of the measured data, and a bounding calculation of the mass of ferric colloids in the EBS. ROUTINE DESCRIPTION (“GWcolloidsV1.2.xls”) Input Data from Nye County Wells (Worksheet: Nye Co Data) The measured colloid size data from Nye County wells is shown in Columns A through J (DTN: LA0002SK831352.001). The mass concentration of particles in each measured size range is calculated in Columns N through V using the formula (Mass Concentration) = (Mass per Particle) * (Measured Concentration) Eq. XVI-1 and the mass per particles is calculated in Column M using (Mass per Particle) = (Particle Volume) * (Density) = (4/3)p(D/2)3 * (Density) Eq. XVI-2 where the density is equal to 1012µg/m3 (i.e. density of water), and D is the particle size from Column A or L. All columns are summed to Row 19. Nye County Data Normalized (Worksheet: Nye Co Normalized) The measured data (Columns A through J) from Worksheet: Nye Co Data, are normalized in this worksheet, by dividing each data column by the corresponding sum value from Row 19 of that worksheet. A set of descriptive statistics are calculated from the sizes and the normalized frequency data. These consist of the following measures: . i iw D (Eq. XVI-3) . i 2i w D (Eq. XVI-4) . i 3i w D (Eq. XVI-5) . i i w ) D ln( (Eq. XVI-6) ANL-EBS-MD-000033 REV 00 ICN 1 XVI-2 July 2000 [ ] . i 2 i w ) D ln( (Eq. XVI-7) [ ] [ ]2 i i i 2 i w ) D ( Ln w ) D ln( . . - (Eq. XVI-8) which are calculated in Rows 21 through 26, respectively. These measures are used in later worksheets. The measures calculated in Rows 24 and 26 are the estimated mean, and standard deviation, respectively, of the log-normal distributions of the measured data from the different well intervals. The average and standard deviation of these mean values, are calculated in Columns K and L, respectively, using the Excel intrinsic functions AVERAGE and STDEV. These are the parameters of the “average” log-normal distribution for the Nye County data, and are used in later worksheets. In addition, a check of the assumption that the observed size-concentration data are lognormally distributed, is made in Row 29. This is done by calculating [ ] [ ]. . . . . . . . . . . . . . . . - + . 2 2 i i i 2 i i i w ) D ( Ln w ) D ln( 2 1 w ) D ( Ln exp (Eq. XVI-9) and comparing the result to the value in Row 21 (from Eq. XVI-1). The two values should be close, if the data are log-normal. Visual inspection shows that this is the case. Cumulative Nye County Normalized Data (Worksheet: NC Cumulative) Each of the normalized data columns (Columns B through J) from Worksheet: Nye Co Normalized (Rows 3 through 18), is summed to the same locations in this worksheet, in a manner that produces a discretized cumulative distribution. The cumulative values are multiplied by 100 to convert to percentage. The final value of the cumulative distribution (for the maximum particle size of 200 nm) in each column is 100%, which verifies the operations are correct. In addition, the “average” log-normal distribution for the Nye County data, is calculated in Column K, for each value of particle size in Column A. The parameters of the “average” distribution are obtained from Cells K24 and K26, in Worksheet Nye Co Normalized. The computed discretized cumulative distributions (Columns B through J), and the “average” log-normal distribution curve, are plotted on this worksheet. Input Data from Yucca Mountain Wells (Worksheet: YM Data) The measured colloid size data from Yucca Mountain wells is shown in Columns A through J (DTN: LA0002SK831352.002). The mass concentration of particles in each measured size range is calculated in Columns N through V using Eq. XVI-1, and the mass per particles is calculated in Column M using Eq. XVI-2. ll columns are summed to Row 19. Yucca Mountain Data Normalized (Worksheet: YM Normalized) ANL-EBS-MD-000033 REV 00 ICN 1 XVI-3 July 2000 The measured data (Columns A through J) from Worksheet: YM Data, are normalized in this worksheet, by dividing each data column by the corresponding sum value from Row 19 of that worksheet. A set of descriptive statistics are calculated from the sizes and the normalized frequency data. These consist of the measures calculated using Eq. XVI-3 through Eq. XVI-8, which are calculated in Rows 21 through 26, respectively. These measures are used in later worksheets. The measures calculated in Rows 24 and 26 are the estimated mean, and standard deviation, respectively, of the log-normal distributions of the measured data from the different well intervals. The average and standard deviation of these mean values, are calculated in Columns K and L, respectively, using the Excel intrinsic functions AVERAGE and STDEV. These are the parameters of the “average” log-normal distribution for the Yucca Mountain data, and are used in later worksheets. In addition, a check of the assumption that the observed size-concentration data are lognormally distributed, is made in Row 29. This is done by calculating [ ] [ ]. . . . . . . . . . . . . . . . - + . 2 2 i i i 2 i i i w ) D ( Ln w ) D ln( 2 1 w ) D ( Ln exp (Eq. XVI-9) and comparing the result to the value in Row 21 (from Eq. XVI-1). The two values should be close, if the data are log-normal. Visual inspection shows that this is the case. Cumulative Yucca Mountain Normalized Data (Worksheet: YM Cumulative) Each of the normalized data columns (Columns B through J) from Worksheet: YM Normalized (Rows 3 through 18), is summed to the same locations in this worksheet, in a manner that produces a discretized cumulative distribution. The cumulative values are multiplied by 100 to convert to percentage. The final value of the cumulative distribution (for the maximum particle size of 200 nm) in each column is 100%, which verifies the operations are correct. In addition, the “average” log-normal distribution for the Yucca Mountain data, is calculated in Column K, for each value of particle size in Column A. The parameters of the “average” distribution are obtained from Cells K24 and K26, in Worksheet YM Normalized. The computed discretized cumulative distributions (Columns B through J), and the “average” log-normal distribution curve, are plotted on this worksheet. Statistical Analysis Part 1 (Worksheet: Distributions) The total mass concentration values for Nye County data (Worksheet: Nye Co Data, Range N19:V19) are copied to Column A. The total mass concentration values for Yucca Mountain data (Worksheet: YM Data, Range N19:V19) are copied to Column B. These two columns are combined and rearranged in ascending order in Column C. The rank series of Column C is shown in Column D. In Column E the ascending series is multiplied by the density of hematite (Cell C1). F-statistic values are calculated in Column F, using the formula Fi = 100*(Rank)/(Max. Rank) Eq. XVI-10 ANL-EBS-MD-000033 REV 00 ICN 1 XVI-4 July 2000 Where the result is multiplied by 100 to give a percentage. The natural logs of the ascending series values from Column E, are calculated pointwise in Column G using the formula Gi = ln (Ei) Eq. XVI-11 The mean and standard deviation of the natural-log values are computed using Excel intrinsic functions AVERAGE and STDIV in Cells G21 and G22. The series of inverse variates is calculated in Column H using Excel intrinsic function NORMSINV, taking as the argument, the values in Column F (divided by 100 to convert from percentage). The colloid concentration values for Nye County data (Worksheet: Nye Co Data, Range B19:J19) are copied to Column J. The colloid concentration values for Yucca Mountain data (Worksheet: YM Data, Range B19:J19) are copied to Column K. These two columns are combined and rearranged in ascending order in Column L. Columns M through Q then contain the same manipulations and results for colloid concentration data, as Columns D through H contained for the total mass concentration data, except that the ascending series in Column N is not multiplied by the specific gravity for hematite. The parameters of the log-normal distribution estimated using regression of Column P on Column Q, in Worksheet: Particle Count, are copied to Cells P25 and P26, from Worksheet: Particle Count, Cells B17 and B18, respectively. These are the coefficients to the regressed linear fit to the log data. In Columns S, T, and U the cumulative distribution of the colloid concentration (expressed as the F-statistic) is calculated using the parameters of the log-normal distribution estimated using two different approaches. First, Column S contains a series of logarithmically spaced increments of colloid concentration, at which the cumulative distribution is calculated. Column T contains the cumulative distribution calculated using the Excel intrinsic function LOGNORMDIST, with the parameters calculated from the data, in Cells P23 and P24. Column U contains the cumulative distribution also calculated using LOGNORMDIST, but with the parameters estimated from regression (Worksheet: Particle Count) and copied to Cells P25 and P26. Both Columns T and U compare favorably to the normalized rank data in Columns O and F. A plot comparing the various estimates of the F-statistic series is included on the worksheet. The calculated values lie closest to the F-series generated in Column T. Statistical Analysis Part 2 (Worksheet: Mass Conc.) This worksheet contains a regression analysis performed using the Excel intrinsic function “Regression” which is accessed via the Tools:Data Analysis:Regression menu. The options selected included “Output Range” and “Residuals.” The Y-Range selected is G5:G21 from Worksheet: Distributions. The X-Range selected is H5:H21 from Worksheet: Distributions. These selections regress the rank-ordered mass concentration values, against the inverse normal variate computed from the F-values estimated from the data. The regression curve is calculated automatically (by the Regression function) at each of the points corresponding to the range of discrete data (i.e. Range H5:H21). (The regression curve is calculated using the log-normal distribution parameters estimated by the regression procedure.) The resulting curve is plotted with the discrete values, on this worksheet. ANL-EBS-MD-000033 REV 00 ICN 1 XVI-5 July 2000 The regression curve is calculated automatically (by the Regression function) at each of the points corresponding to the range of discrete data (i.e. Range H5:H21). The regression curve is calculated using the log-normal distribution parameters estimated by the regression procedure. These calculated values are tabulated in Range A25:C41, in Worksheet: Mass Conc. The resulting curve in Range B25:B41 is plotted along with the discrete values, on this worksheet. This worksheet also contains an analysis of the enhancement factor for mobilization of radionuclides by pseudocolloids, relative to solubility limits. This analysis is shown in Columns V through Z. Column V contains several arbitrarily selected quantiles (p) of the cumulative distribution on mass concentration. Column W contains the values of the standardized normal variable at these quantiles F-1(p), calculated using Excel intrinsic function NORMINV. Column X contains the calculated colloidal concentrations (Cp) for the selected quantiles, expanded using Cp = exp{µ + s F-1(p)} (Eq. XVI-12) Where µ and s are the mean and standard deviation, respectively, of the log-normal distribution for colloid concentration, based on averages (Cells P23 and P24, Worksheet: Distributions). Column Y contains the equivalent mass of colloidal materials (MC), calculated from the colloid concentration Cp using an average particle mass (mavg): Mp = Cp mavg (Eq. XVI-13) where the average particle mass is estimated from independent analysis, and entered in Cell W2. Finally, the enhancement factor is calculated in Column Z from E = 1 + Kd MC (Eq. XVI-14) where Kd is the sorption coefficient estimated independently (e.g. from laboratory data) and entered in Cell W3. Statistical Analysis Part 3 (Worksheet: Particle Count) This worksheet contains a regression analysis performed using the Excel intrinsic function “Regression” which is accessed via the Tools:Data Analysis:Regression menu. The options selected included “Output Range” and “Residuals.” The Y-Range selected is P5:P21 from Worksheet: Distributions. The X-Range selected is Q5:Q21 from Worksheet: Distributions. These selections regress the rank-ordered colloid concentration values, against the inverse normal variate computed from the F-values estimated from the data. The regression curve is calculated automatically (by the Regression function) at each of the points corresponding to the range of discrete data (i.e. Range Q5:Q21). The regression curve is calculated using the log-normal distribution parameters estimated by the regression procedure. These calculated values are tabulated in Range A25:C41, in Worksheet: Particle Count. The resulting curve in Range B25:B41 is plotted along with the discrete values, as the uppermost plot in this worksheet. The cumulative distributions of the colloid concentration calculated in Columns T and U, in Worksheet: Distributions, are plotted along with the discrete F-values based on averages (Column O in the same worksheet), as the lowermost plot on this worksheet. ANL-EBS-MD-000033 REV 00 ICN 1 XVI-6 July 2000 Colloid Diffusivity Analysis (Worksheet: Colloid Diffusivity) This worksheet contains two types of information about particle diffusivity in water, as a function of size. Columns A and B contain handbook data relating diffusivity and particle size (Perry and Chilton 1973; Table 17-10). The units are converted in Columns C and D. Columns S and T contain a particle size-diffusivity calculation based on the Stokes-Einstein Equation (Bird et al. 1960). Column S contains a range of particles sizes for plotting, and Column T contains the diffusivity (DAB) calculated from A B AB D 3 273 T k D · µ · p · + · = (Eq. XVI-15) where kB is the Boltzmann constant (1.380662 x 10-23 J/K; see Weast and Astle, 1981; p. F- 203), T is the temperature (25°C), DA is the particle size, and µ is the dynamic viscosity of water (0.0008904 kg/m-sec; Weast and Astle 1981; p. F-42 and F-286). The handbook data and the Stokes-Einstein result are plotted on this worksheet ROUTINE VALIDATION The accuracy of the manipulations in this routine, and the appropriateness of the statistical operations, are established through the following measures: • Checksums in Row 19 of Worksheet: NYE Co Data, and Worksheet: YM Data. • Checksums in Row 19 of Worksheet: NYE Co Normalized, and Worksheet: YM Normalized. Also, calculation of the log-normal statistics, especially in Rows 24 and 26 of these worksheets, facilitates comparison among the well interval data sets used. The resulting similarity between well intervals is helps to justify the approach. • Checking the assumption of log-normality by calculations in Rows 28 and 29 of these worksheets. • Plotting the well interval data, expressed as cumulative distributions, in Worksheet: NC Cumulative, and Worksheet: YM Cumulative. In addition, the best-fit log-normal distributions representing the Nye County and Yucca Mountain data sets, are plotted, and compare favorably with the plotted data. • The parameters of the best-fit log-normal distribution to the composite of all well interval data, is computed by two complimentary methods in Worksheet: Distributions (Cells P23 and P24, and Cells P25 and P26). • Comparison of cumulative distributions fit using complimentary methods, to the cumulative tabulation of the composite well interval data, in Worksheet: Particle Count. The distributions are a close fit to the tabulated data. Based on these features of the routine and the results obtained, the routine is determined to be valid for its intended use. Validity of the results depends on the goodness-of-fit of the data used, to the log-normal distribution. This routine supports a bounding model of colloid effects from steel used in the emplacement drifts. The routine is therefore appropriate and valid for the range of parameters obtained from the data sources. ANL-EBS-MD-000033 REV 00 ICN 1 XVI-7 July 2000 ANL-EBS-MD-000033 REV 00 ICN 1 XVII-1 July 2000 ATTACHMENT XVII SOFTWARE ROUTINE DOCUMENTATION FOR SAND SURFACE AREA CALCULATION SPREADSHEET ROUTINE IDENTIFICATION OvertonSandAreaV1.2 Version 1.2, initial issue of routine. This routine is an Excel 97 spreadsheet. The source code is “OvertonSandAreaV1.2.xls” (Attachment I). OvertonSandAreaV1.2 is classified as a routine per AP-SI.1Q, and is qualified by this Attachment. This routine executes the expected mathematical operations accurately. OvertonSandAreaV1.2 was run on a Dell Poweredge 2200 PC (Pentium Pro; Windows 95 V4.00.950 B). ROUTINE PURPOSE AND VALIDATION The purpose of the routine is to calculate an estimate of the surface area of the sand, based on measured particle size classification data. INPUT DATA The particle size distributions for several samples of Overton Sand are entered in Worksheet: “Sand Surface Area” Rows 8 through 12. Backfill particle density (solid density) and porosity values are entered in cells from the thermal-hydrologic property set (file: “dkm-afc- EBS_Rev10”; see Attachment I) in cells B16 and B17, respectively. The volume for each of the three zones of interest (3, 4, and 5) is imported to Worksheet: Solvent mass vs. surface area, Range B7:B9, from spreadsheet routine (File: “th+gas_modell4c4- ui-04.xls” [Version 1.4] Worksheet: Zone volume). The required values are taken respectively from cells: D411, D415, and D420. The same values are repeated on Row 13 of Worksheet: Solvent mass vs. surface area. The liquid mass in each zone (including Zone 6) is also imported to Worksheet: Solvent mass vs. surface area, Range C7:I10, from spreadsheet routine (File: “th+gas_model-l4c4-ui- 04.xls” [Version 1.4] Worksheet: Zone volume). The required values are taken from Range AW13:AZ17. CALCULATION OF SURFACE AREA The average of the sand samples is calculated for each size range, in Range B13:F13. The sum of these average mass fractions is calculated as a check in cell H13 (should be close to 100%). The bulk density is calculated in cell B18 from .b = (1-f).g (XVII-1) where .b = bulk density (kg/m3) .g = particle density (kg/m3) f = porosity The mass of one particle representing each size range, is calculated on Row 20, using the following expression ANL-EBS-MD-000033 REV 00 ICN 1 XVII-2 July 2000 mp = 4p.g r3 / 3 (XVII-2) where mp = particle mass (kg) r = average of the two radii corresponding to the limits of the size range (m) The radii for the limits of each size range are taken from half the diameters in Rows 5 and 6, converted to meters. A scaled density for each size range is calculated in Row 21, using the formula .scaled = .b f (XVII-3) where .scaled = scaled density (kg/m3) f = proportion of total mass in each size range The proportion of mass in each size range is taken from Row 13, converted from percentage. The surface area for each size fraction is calculated in Row 22 using the formula A = (.scaled /mp) 4p r2 (XVII-4) The total surface area is calculated as the sum of the surface areas for all size fractions (cell G23). CALCULATION OF SURFACE AREA IN ZONES OF THE MODEL The following description applies to Worksheet: Solvent mass vs. surface area. The total surface area (m2/m3) from Worksheet: Sand surface area, Cell G22, is entered in Range C7:C9 and Row 14. The actual surface area of sand in each zone is calculated in Range D7:D9, and Row 15, using Azone = A Vzone (XVII-5) where Azone = sand surface area in each zone (m2/m) Vzone = the volume of the zone (m3/m; Range B7:B9) The surface area in each composite zone (i.e. Zone 3/4 and Zone 5/6) is calculated in Row 18, by summing the surface areas in Row 14. The liquid mass in each composite zone is calculated in Rows 21 through 25 by summing the imported liquid mass values from Rows 7 through 10. The surface area: liquid mass ratio is calculated in Rows 28 through 32, using the liquid mass data from Rows 21 through 25, and the specific surface area calculated in Row 18. VALIDATION TEST CASE Documentation of the accuracy of this routine is provided by comparing the results with hand calculation. For selected cells, the hand-calculated values are compared with the spreadsheet values in Table XVII-1. Minor differences in the least significant digit are attributed to round-off. The results are in agreement, from which it is established that the routine performs the operations accurately, and is valid for its intended use (in a bounding model for surface ANL-EBS-MD-000033 REV 00 ICN 1 XVII-3 July 2000 area of sand backfill or other potentially reactive granular materials). The routine is therefore appropriate and valid for the range of parameters obtained from the data sources. Table XVII-1. Comparison of Spreadsheet Values with Hand-Calculations for Selected Cells Worksheet Cell Spreadsheet Value Hand-Calc. Value Sand surface area B13 2.08 2.08 B18 1593 1593 B20 6.329E-10 6.329E-10 B21 33.13 33.13 B22 962.5 962.4 G23 10.08 10.08 Solvent mass vs. surface area D7 1.0076E+05 1.0073E+05 D15 1.008E+05 1.007E+05 D18 1.102E+05 1.102E+05 D25 4.412E+02 4.413E+02 D32 2.497E+02 2.497E+02 ANL-EBS-MD-000033 REV 00 ICN 1 XVIII-1 July 2000 ATTACHMENT XVIII SOFTWARE ROUTINE DOCUMENTATION FOR CO2 BALANCE CALCULATION SPREADSHEET XVIII.1 ROUTINE IDENTIFICATION This attachment describes initial issue of routine CO2balanceV1.2 Version 1.2. This is an Excel 97 spreadsheet. The source file is “CO2balance.xls” (Attachment I). CO2balanceV1.2 is classified as a routine per AP-SI.1Q, and is qualified by this Attachment. The routine executes the expected mathematical operations accurately, and is therefore appropriate. CO2balanceV1.2 was run on a Dell Poweredge 2200 PC (Pentium Pro, Windows 95 4.00.950 B). XVIII.2 ROUTINE PURPOSE The purpose of this routine is to sum the CO2 produced and consumed in all zones representing the Engineered Barrier System (EBS) using output from the EQ3NR chemical equilibrium model, the normative mineral assemblage model, and the EQ6 mass transfer reaction model. XVIII.3 ROUTINE DESCRIPTION Input data are transferred manually into the CO2balanceV1.2 spreadsheet. The specific input files used for as sources for these data are as follows: Hydrologic information on influx and outflux for each composite zone, from a thermalhydrology and gas model summary spreadsheet routine file: “th+gas_model-l4c4-ui-04.xls” EQ3NR output files representing water composition in composite Zone 1/2, in Time Period 1 through Time Period 5. Normative mineral assemblage spreadsheet files: “normative_hiCO2_l4c4_ui-zone34-500V1.2.xls” “normative_hiCO2_l4c4_ui-zone56-1000V1.2.xls” Output from the EQ6 mass transfer reaction model, reformatted in spreadsheet files: “water34_3A_qtz.xls” “water34_3B_qtz.xls” “water34_4_qtz.xls” “water34_5_qtz.xls” “water56_4A_qtz.xls” “water56_4B_qtz.xls”, and “water56_5_qtz.xls” All of these files are included in the electronic submittal described in Attachment I. ANL-EBS-MD-000033 REV 00 ICN 1 XVIII-2 July 2000 The CO2balanceV1.2 spreadsheet is organized by columns, and is described by specifying the columns in a list: Columns A and B: These contain the time period number, and the nominal time in yr corresponding to each time period. XVIII.3.1 CO2 Production from Taking J-13 Water to Zone 0 Composition Column C: Molal concentration CO2 as carbonate species comprising bicarbonate, carbonate, and aqueous CaCO3 and accounting for 99% of total dissolved CO2, for Zone 0, and each time period. These data area taken from the “Current Basis” tables in the EQ3NR output files for composite Zone 0, and Time Period 1 through Time Period 5. Column D: Molal concentration Ca, accounting for 99% of total dissolved Cs, for Zone 0, and each time period. These data area taken from the “Current Basis” tables in the EQ3NR output files for composite Zone 0, and Time Period 1 through Time Period 5. XVIII.3.2 CO2 Production by Taking Zone 0 Waters to Zone 1/2 Composition Column E: Liquid inflow rate for Zone 1/2, from file: “th+gas_model-l4c4-ui-04.xls” Worksheet: “CHEMprobl4c4upper” Column P. The inflow rate to Zone 1/2 is equal to the through-flow rate for Zone 0. These data are identical to Column F. Column F: Molal concentration CO2 as carbonate species comprising bicarbonate, carbonate, and aqueous CaCO3 and accounting for 99% of total dissolved CO2, for Zone 1/2, and each time period. These data area taken from the “Current Basis” tables in the EQ3NR output files for composite Zone 1/2, and Time Period 1 through Time Period 5. Column G: Molal concentration Ca, accounting for 99% of total dissolved Cs, for Zone 0, and each time period. These data area taken from the “Current Basis” tables in the EQ3NR output files for composite Zone 0, and Time Period 1 through Time Period 5. Column H: Liquid outflow rate for Zone 1/2, from file: “th+gas_model-l4c4-ui-04.xls” Worksheet: “CHEMprobl4c4upper” Column S. Column I: Compute the aqueous CO2 budget for Zone 1/2. Multiply the influent CO2 molal concentration by the inflow rate, and multiply the effluent CO2 molal concentration by the outflow rate. Column J: Compute the calcite precipitation CO2 budget for Zone 1/2. Multiply the influent Ca molal concentration by the inflow rate, and multiply the effluent CO2 molal concentration by the outflow rate. Column K: Total CO2 budget for Zone 1/2. Add Columns I and J. XVIII.3.3 Evaporation, Redissolution, and Through-Flow of Waters in Zone 3/4 Column L: CO2 concentration in waters that can potentially enter Zone 3/4 and evaporate during Time Period 1 and Time Period 2. Identical to Column F, the Zone 1/2 concentration, during these time periods. ANL-EBS-MD-000033 REV 00 ICN 1 XVIII-3 July 2000 Column M: Liquid inflow rate for Zone 3/4, from file: “th+gas_model-l4c4-ui-04.xls” Worksheet: “CHEMprobl4c4upper” Column Y. Column N: Liquid outflow rate for Zone 3/4, from file: “th+gas_model-l4c4-ui-04.xls” Worksheet: “CHEMprobl4c4upper” Column AB. Column O: Moles of CO2 precipitated in Zone 3/4 from the normative mineral assemblage model. Cell O9 has a value of zero because there is no liquid inflow during Time Period 1. The value in Cell O10 is calculated from values in spreadsheet routine file: “normative_hiCO2_l4c4_ui-zone34-500V1.2.xls" Worksheet: 300-700 yr, Cells K42 and K48. The precipitated moles of calcite and thermonatrite are converted to moles of CO2 and entered in Cell O10. Column P: Net CO2 budget values calculated by the EQ6 reaction model for Zone 3/4, and taken directly from the “Masses of gases produced” tables in spreadsheet files “water34_3A_qtz.xls”, “water34_3B_qtz.xls”, “water34_4_qtz.xls”, “water34_5_qtz.xls”. Column Q: Compute CO2 budget for Zone 3/4. For Time Periods 1 and 2, multiply the influent CO2 molal concentration by the inflow rate, and multiply the CO2 precipitation rate (converted to mass CO2) by the inflow rate. Subtract the precipitation term from the inflow term. For Time Periods 3,4, and 5 the net CO2 budget is calculated differently. The budget values calculated in Column P are multiplied by the liquid inflow rate. XVIII.3.4 Evaporation, Redissolution, and Through-Flow of Waters in Zone 5/6 Column R: Influent CO2 concentration to Zone 5/6, for Time Periods 3A and 3B, for which there is liquid water inflow to Zone 5/6 from Zone 3/4, but evaporation is complete and mass balance is not computed by the EQ6 model. Column S: Liquid inflow rate for Zone 5/6, from file: “th+gas_model-l4c4-ui-04.xls” Worksheet: “CHEMprobl4c4upper” Column AG. Column T: Liquid outflow rate for Zone 5/6, from file: “th+gas_model-l4c4-ui-04.xls” Worksheet: “CHEMprobl4c4upper” Column AJ. Column U: Moles of CO2 precipitated in Zone 5/6 from the normative mineral assemblage model. Cells U9 and U10 have are zero because there is no liquid inflow during Time Periods 1 and 2. The value in Cell U11 is calculated from values in spreadsheet routine file: “normative_hiCO2_l4c4_ui-zone56-1000V1.2.xls” Worksheet: 700-1500 yr, Cells K42 and K48. The precipitated moles of calcite and thermonatrite are converted to moles of CO2 and entered in Cell U11. The value in Cell U12 is calculated from values in spreadsheet routine file: “normative_hiCO2_l4c4_ui-zone56-1000V1.2.xls" Worksheet: 700-1500 yr, Cells K104 and K110. The precipitated moles of calcite and thermonatrite are converted to moles of CO2 and entered in Cell U12. Column V: Net CO2 budget values calculated by the EQ6 reaction model for Zone 5/6, and taken directly from the “Masses of gases produced” tables in spreadsheet files “water56_4A_qtz.xls”, “water56_4B_qtz.xls”, and “water56_5_qtz.xls”. Column W: Compute CO2 budget for Zone 5/6. For Time Periods 1 and 2 there is no liquid inflow or outflow, so the CO2 budget is zero. For Time Periods 3A and 3B multiply the influent CO2 molal concentration by the inflow rate, and multiply the CO2 precipitation rate ANL-EBS-MD-000033 REV 00 ICN 1 XVIII-4 July 2000 (converted to mass CO2) by the inflow rate. Subtract the precipitation term from the inflow term. For Time Periods 4 and 5 the net CO2 budget is calculated differently. The budget values calculated in Column V are multiplied by the liquid inflow rate. XVIII.3.5 CO2 Production by Cooling of Zone 1/2 Through-Flow to Zone 0 Conditions Column X: Liquid through-flow from Zone 1/2 back to the host rock (Zone 0), from file: “th+gas_model-l4c4-ui-04.xls” Worksheet: “CHEMprobl4c4upper” Column W. Column Y: CO2 budget for a 1-kg parcel of Zone 1/2 water, cooled to Zone 0 temperature in the presence of equilibrium solids, as used for modeling Zone 0. Calculated for all time periods using EQ3NR, as summarized in file: “CO2_budget_a1.xls” (Attachment I). Represents the net CO2 production from waters diverted around the drifts. Column Z: Compute CO2 budget for Zone 1/2 through-flow to Zone 0 conditions. For all time periods, multiply the through-flow rate (Column X) by the net CO2 production (Column Y). XVIII.3.6 CO2 Production by Cooling of Zone 5/6 Through-Flow to Zone 0 Conditions Column AA: Liquid through-flow from Zone 5/6 back to the host rock (Zone 0), from file: “th+gas_model-l4c4-ui-04.xls” Worksheet: “CHEMprobl4c4upper” Column AN. Column AB: CO2 budget for a 1-kg parcel of Zone 5/6 water, cooled to Zone 0 temperature in the presence of equilibrium solids, as used for modeling Zone 0. Calculated for all time periods using EQ3NR, as summarized in file: “CO2_budget_b1.xls” (Attachment I). Represents the net CO2 production from waters drained from the drifts. Column AC: Compute CO2 budget for Zone 5/6 through-flow to Zone 0 conditions. For all time periods, multiply the through-flow rate (Column AA) by the net CO2 production (Column AB). XVIII.3.7 Summary of CO2 Budgets for In-Drift, and Host-Rock Processes Column AD: Compute CO2 budget for in-drift processes only. Add the Zone 3/4 and Zone 5/6 contributions from Columns Q and W, respectively, and multiply by 2 to convert to fulldrift basis (from the half-drift basis used in the NUFT symmetry models). Convert from moles to kg CO2. Column AE: Compute CO2 budget for in-drift processes plus the host rock waters compared to Zone 0 conditions. To the result from Column AD, add the Zone 1/2 CO2 budget from Column K, and the Zone 1/2 through-flow budget from Column Z. For Time Periods 4A, 4B, and 5, also add the Zone 5/6 through-flow budget from Column AC. Multiply the additional (Zone 0 basis) terms by 2 to convert to full-drift basis (from the half-drift basis used in the NUFT symmetry models). ANL-EBS-MD-000033 REV 00 ICN 1 XVIII-5 July 2000 XVIII.3.8 Potential Effect of Rockbolt Cement Grout on the In-Drift CO2 Budget Column AG: Enter leachate flow per rockbolt, from the Cementitious Materials Model, Section 6.3 of the EBS Physical and Chemical Environment AMR. This value is computed from the ratio of the rockbolt cross-sectional area to the drift diameter, multiplied by the inflow rate from Zone 1/2 to Zone 3/4. Column AH: Enter number of rockbolts per meter of drift. Column AI: Total leachate flow for all rockbolts in 1 m of drift, calculated by multiplying Columns AG and AH, and converting to kg/m-sec. Column AJ: Influent CO2 concentration in fluids that interact with rockbolt grout. This is the total CO2 concentration corresponding to the bicarbonate concentration reported for J-13 water. Column AK: Total CO2 concentration in grout leachate after equilibration to CO2 and quartz in the backfill. Taken from the Cementitious Materials Model (Section 6.3). Column AL: Mass of calcite precipitated by grout leachate on equilibration to CO2 and quartz in the backfill. Taken from the Cementitious Materials Model (Section 6.3). Column AM: Total CO2 consumed by grout leaching, and the equilibration of grout leachate with CO2 and quartz in the backfill. Computed by taking the difference between Columns AK and AJ, multiplied by the flow rate in Column AI. The calcite precipitation from Column AL is multiplied by the flow rate in Column AI, converted from mass calcite to mass CO2, and added. The mass-basis of the result is converted to kg CO2. Column AN: CO2 budget for in-drift processes only, with consumption by leaching of rockbolt grout. Add the production calculated in Columns AD and AM. Column AO: The percent difference in the CO2 budget for in-drift processes, with addition of CO2 consumption by rockbolt grout. XVIII.4 VALIDATION TEST CASE This routine is qualified by inspection and comparison of the formulae to the above description, and checking by hand calculation. Selected cells are calculated by hand, the values compared with the spreadsheet results in Table XVIII-1. Matching values are obtained, with small differences that are attributed to round-off. This documents the accuracy of this routine for calculating CO2 mass balance from defined inputs. The routine is therefore determined to be approproate for performing mass balance calculations, given the range of chemical model inputs for the chemical reaction cell system described. ANL-EBS-MD-000033 REV 00 ICN 1 XVIII-6 July 2000 Table XVIII-1 Comparison of Hand-Calculated Values with Spreadsheet Results Cell Spreadsheet Value Hand-Calculated Value I11 -6.138E-11 -6.182E-11 J11 1.068E-08 -1.069E-08 K11 1.062E-08 1.075E-08 Q11 2.343E-07 2.343E-07 W11 -3.210E-07 -3.210E-07 Z11 -2.720E-09 -2.720E-09 AD11 -7.630E-09 -7.630E-09 AE11 -6.935E-09 -6.935E-09 AI11 4.196E-08 4.196E-08 AM11 -7.946E-12 -7.946E-12 AN11 -7.638E-09 -7.638E-09 AO11 0.10 0.104