U.S. Geological Survey phreeqc(1) NAME phreeqci - Graphical user interface for PHREEQC ABSTRACT PhreeqcI Version 2 is a complete Windows-based graphical user interface to the geochemical computer program PHREEQC (Version 2). PhreeqcI can be used interactively to perform all the modeling capabilities of PHREEQC-speciation, batch-reaction, one-dimensional (1D) reactive-transport, and inverse modeling. Data for PhreeqcI may be read from a PHREEQC input file, entered through a line editor, or entered through screen- driven input. Each keyword data block of PHREEQC has a corresponding input screen with tabbed panes for input of all data related to the keyword. Balloon help is available for all buttons; when a data field receives the focus, a description of the data field appears at the bottom of the screen; and the complete PHREEQC version 2 manual is available through the help menu. HISTORY Version 2.7.0.1 2002/05/31 - Bug fixes: (1) gram formula weights and rate time variables were not initialized; (2) updated to PHREEQC 2.7; (3) bug with deleting in SOLUTION_SPREAD; (4) added simulation number to error file; (5) excluded rate status printouts from error file. Version 2.6.0.1 2002/05/31 - Bug fixes: (1) a bug that affected the thermodynamic data keyword screens (PHASES, XXX_MASTER_SPECIES, and XXX_SPECIES); one of the controls was misplaced for some graphics cards (we think). (2) Also fixed a logic error that mixed up the fields in SURFACE_MASTER_SPECIES. (3) Fixed a bug in SOLUTION_SPREAD that did not interpret multiple empty fields correctly on the header line. Version 2.6.0.0 2002/05/15 - Initial release of PhreeqcI (Version 2). Version 2 is a complete rewrite of Version 1 in Visual C++, including interactive capabilities for all features of PHREEQC (Version 2). Version 1.03 1998/09/10 - Initial release of PhreeqcI (Version 1). Visual Basic interface to PHREEQC (Version 1). DATA REQUIREMENTS Proper use of the program requires adequate knowledge of geochemistry and a proper formulation of the problem. SYSTEM REQUIREMENTS For installation of PHREEQCI, 20 megabytes of free disk space is needed. To run PHREEQCI, the following is necessary: - Windows 9x or Windows NT 3.51 or higher For optimal performance, the following are recommended: - Pentium processor, running at 300 megahertz or faster - 64 MB memory - 100 MB free disk space - display resolution of 800x600 DOCUMENTATION Charlton, S.R., and Parkhurst, D.L., 2002, PhreeqcI--A graphical user interface to the geochemical model PHREEQC: U.S. Geological Survey Fact Sheet FS-031-02, 2 p. Parkhurst, D.L., and Appelo, C.A.J., 1999, User's guide to PHREEQC (Version 2)--a computer program for speciation, batch-reaction, one-dimensional transport, and inverse geochemical calculations: U.S. Geological Survey Water- Resources Investigations Report 99-4259, 312 p. RELATED DOCUMENTATION Charlton, S.R., Macklin, C.L. and Parkhurst, D.L., 1997, PHREEQCI--a graphical user interface for the geochemical computer program PHREEQC: U.S. Geological Survey Water- Resources Investigations Report 97-4222, 9 p. Parkhurst, D.L., Thorstenson, D.C., and Plummer, L.N., 1980, PHREEQE--a computer program for geochemical calculations: U.S. Geological Survey Water-Resources Investigations Report 80-96, 195 p. (Revised and reprinted, 1990.) Plummer, L.N., Parkhurst, D.L., Fleming, G.W., and Dunkle, S.A., 1988, A computer program incorporating Pitzer's equations for calculation of geochemical reactions in brines: U.S. Geological Survey Water-Resources Investigations Report 88-4153, 310 p. Plummer, L.N., Prestemon, E.C., and Parkhurst, D.L., 1991, An interactive code (NETPATH) for modeling NET geochemical reactions along a flow PATH: U.S. Geological Survey Water-Resources Investigations Report 91-4078, 227 p. Plummer, L.N., Prestemon, E.C., and Parkhurst, D.L., 1994, An interactive code (NETPATH) for modeling NET geochemical reactions along a flow PATH--version 2.0: U.S. Geological Survey Water-Resources Investigations Report 94-4169, 130 p. REFERENCES Appelo, C.A.J., and Postma, D., 1993, Geochemistry, groundwater and pollution: Rotterdam, Netherlands, and Brookfield, Vermont, A.A. Balkema. Appelo, C.A.J., and Willemsen, A., 1987, Geochemical calculations and observations on salt water intrusions. I: A combined geochemical/mixing cell model: Journal of Hydrology, v. 94, p. 313-330. Parkhurst, D.L., and Plummer, L.N., 1993, Geochemical models, in Alley, W.M., ed., Regional ground-water quality: New York, Van Nostrand Reinhold, chap. 9, p. 199-225. Plummer, L.N., 1984, Geochemical modeling: A comparison of forward and inverse methods, in Hitchon, B., and Wallick, E.I., eds., Proceedings First Canadian/American Conference on Hydrogeology--Practical Applications of Ground Water Geochemistry, Banff, Alberta, Canada: Worthington, Ohio, National Water Well Association, p. 149-177. TRAINING PHREEQC is taught as part of the courses Geochemistry for Ground-Water Systems (GW3021TC) at the USGS National Training Center. CONTACTS Operation: U.S. Geological Survey David Parkhurst Denver Federal Center, MS 413 Lakewood, CO 80225 dlpark@usgs.gov Distribution: h2osoft@usgs.gov Official versions of U.S. Geological Survey water-resources analysis software are available for electronic retrieval via the World Wide Web (WWW) at: http://water.usgs.gov/software/ and via anonymous File Transfer Protocol (FTP) from: water.usgs.gov (path: /pub/software). The WWW page and anonymous FTP directory from which the PHREEQC software can be retrieved are, respectively: http://water.usgs.gov/software/phreeqc.html --and-- /pub/software/geochemical/phreeqc See http://water.usgs.gov/software/ordering_documentation.html for information on ordering printed copies of USGS publications. SEE ALSO netpath(1) - Interactive program for calculating NET geochemical reactions and radiocarbon dating along a flow PATH phreeqc(1) - A program for aqueous geochemical calculations phrqpitz(1) - A program for geochemical calculations in brines wateq4f(1) - A program for calculating speciation of major, trace, and redox elements in natural waters