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Student
Abstracts at PNNL:
A GIS Mapping Inventory of New York’s Lake Ontario Ordnance Works for the Benefit of Environmental Decision Making. KYLA GREGOIRE (Florida State University, Tallahassee, FL, 30206) LISA DURHAM (Pacific Northwest National
Laboratory, Richland, WA, 99352)
Lake Ontario
Ordinance Works (LOOW) of Niagara County, New York was, in 1942,
home to a trinitrotoluene (TNT) production plant. From 1944 to
the early 1950s, the Manhattan Engineering District (MED) used
the site to store radioactive residue from the processing of uranium
ore. Current remediation efforts, which began in 1970, focus on
the implementation of risk-based environmental assessment (RBES)
to determine future land use and appropriate clean-up criteria.
Discontinuities in technology and the level of detail among the
50 years of LOOW documentation often make it difficult to use and
combine the various historical maps, photos, and documents. Such
discontinuities can impede the decision-making process for site
remediation and closure. To eliminate this remediation obstacle,
the ESRI Arc Geographic Information Systems (ArcGIS) program was
employed to catalog historic, spatial layers relating to the site.
All historic, hard-copy physical map layers such as parcel boundaries,
utility lines, and structures were first cataloged in Excel spreadsheets.
They were subsequently cross-referenced to the available layers
of the electronic record. In this manner, the final GIS inventory
will be compiled as a complete replica of the original, hard copy,
historic record. Attention was paid to detail such as uniform coordinate
systems and the evolution of site layers over 50 years, which ensures
consistency and readability among maps. The end product will be
a GIS dataset of physical, hydrologic, and ecologic maps related
to the site and surrounding area. This product will aid in determining
clean-up criteria for the LOOW site media, comparing remedial alternatives,
and ultimately designing remediation and site closure strategies.
Further, it will communicate remedial efforts and progress among
all LOOW stakeholders. Similar GIS cataloging techniques could
be employed for remedial decision-making and environmental communication
of contaminated sites
nationally and globally.
A study of Nitrogen-containing complexes of Zinc(II)
as photocatalysts in the production of hydrogen peroxide. JENNIFER
HAYES (University of Wyoming, Laramie, WY, 82070) ROBERT DISSELKAMP (Pacific Northwest National Laboratory, Richland, WA, 99352)
Hydrogen peroxide
is a valuable chemical commodity and its use as a clean, easily stored,
and high energy density fuel source may gain acceptance should there
be efficient and sustainable methods of production from dioxygen
and water using solar irradiation. The current method of manufacturing
is not cost efficient and photocatalytic production from solar light
is one approach that has not been explored in detail. The concentration
of hydrogen peroxide produced in an ultraviolet (UV) irradiated environment
using nitrogen-containing complexes of zinc(II) as photocatalysts
was studied using isomers of imidazole, indazole, pyrazole, pyrazine,
and phenylenediamine complexes. Three variables are at play in determining
production efficiency including catalyst UV absorbance, photon output,
and quantum yield. UV wavelengths between 280nm and 360nm were attained
from a UV-B lamp. Sample catalyst complexes were immersed in water,
aerated, and irradiated over time to initiate a redox reaction between
dissolved oxygen and water using photoinduced ionization properties
of the semiconductor system for electron transport. Concentration
of at certain time intervals was determined by titration with potassium
permanganate. Ultra-violet absorbance and percent transmittance of
the photocatalyst solids were measured with a UV-VIS scanning spectrophotometer.
Irradiation of multiple zinc complexes revealed Zn-5-amino indazole
to have the greatest first day production of 62.63mM, 37% quantum
yield for the first 24 hours. Para-phenylenediamine showed the greatest
long-term production as concentrations increased for 70 hours before
a decrease was measured. Isomeric
forms of the catalyst’s organic components did have an effect on production.
Irradiation of diaminopyridine isomers indicated 2,3 and 3,4 structures were
the most productive, each generating 32mM hydrogen peroxide. However, the 2,5
isomer showed no production. After 90 hours, significant decrease in was noticed
in all samples, suggesting a stoichiometric rather than catalytic relationship.
In this study, Zn-indazole and certain isomers of Zn-diaminopyridine complexes
seemed to be the most active among those tested, exhibiting greater production
efficiency and producing the highest quantum yield based on UV-absorbance. Photocatalytic
production of hydrogen peroxide using these compounds has a strong potential
to be an energy and cost efficient prospect in a renewable energy economy.
Air Filter Pricing Analysis for a Business to Business
or Indefinite Quantity Agreement (Alternative). MATTHEW
HARDMAN (University of Idaho, Moscow, ID, 83843) DALE SCHIELKE (Pacific Northwest National Laboratory, Richland, WA, 99352)
As the number and breadth
of the facilities under Pacific Northwest National Laboratory (PNNL) control
increase, the need and importance of cost estimates for maintenance of these
facilities also increases. As with any business, the cost to maintain operation
of its facilities can be a daunting task. The price analysis on air filters
for a 'cutting edge’ research facility such as PNNL is difficult to achieve
since many non-traditional, higher rated filters are needed. In response to
the growing difficulty in managing many systems, electronic databases complete
with inventories, work orders, preventative maintenance, and purchasing capabilities
are being built. One such program which the Facilities and Operations Directorate
(F&O) at PNNL uses is MAXIMO, developed by mro software. MAXIMO contains
a purchasing capability which can be set up with a business to business (B2B)
agreement or indefinite quantity (IDQ) agreement. A B2B agreement is a contract
between two businesses for the sale of products directly between the two entities.
PNNL wants to set up a B2B or IDQ agreement for air filters as a pilot for
using the full capabilities of MAXIMO purchasing capabilities in the future.
Using MAXIMO report capabilities, descriptive reports were made for all air
filters currently used at PNNL. Microsoft Excel files were then produced and
sent out to previous vendors for pricing information. After gathering the pricing
information into files, the information was then entered into MAXIMO. These
files along with inventories were compared to determine which filters were
eligible for excessing. Once the excessing was underway, work on a B2B began.
If requirements for a B2B cannot be met, an IDQ will then be set up. This work
towards a B2B or IDQ will help create a system in which filters are ordered
for "just
in time delivery". This kind of system will help with storage costs since
not as many air filters will need to be stored on a regular basis. Overall, implementing
a B2B or IDQ system will reduce cost and increase the efficiency of the maintenance
work, therefore saving money, on mechanical systems here at PNNL.
Analysis of Compounds Produced by Biomass Burning
using High Resolution Mass Spectrometry. JEFFREY
SMITH (University of Washington, Seattle, WA, 98195) DR. JULIA LASKIN (Pacific Northwest National Laboratory, Richland, WA, 99352)
As global climate change
becomes a pressing issue worldwide, it is important to identify thecomposition
of particles emitted from biomass burning to understand the influence on our
atmosphere from natural and anthropogenic pyrolysis. This study utilized high
resolution mass spectrometry (MS) combined with electrospray ionization (ESI)
for chemical characterization of smoke particles. The analyzed pyrolysis particles
were collected on the six smallest particulate stages of a ten stage Micro-Orifice
Uniform Deposit Impactor (MOUDI) using both Teflon and aluminum substrates. These
substrates were then washed and filtered in solvents of both methanol and a 3:7
toluene:acetonitrile mixture. The samples were ionized using ESI, and analyzed
in a high resolution hybrid linear ion trap Orbitrap instrument in both positive
and negative ion modes. Tandem mass spectrometry (MS/MS) was performed for selected
species to obtain more detailed structural information for specific compounds.
Elemental composition was assigned to peaks based on their accurate mass-to-charge
ratios. Comparison with literature data showed some overlap between the previously
reported chemical components of smoke particles and species identified through
the high resolution MS. Several known biomarkers for biomass pyrolysis, such
as levoglucosan and dehyrdroabietic acid were observed in ESI-MS spectra. However,
the high resolution MS identified many compounds not listed in existing literature
publications; many of which contain nitrogen in their likely empirical assignments.
These results indicate that the use of high resolution MS is a viable method
for the analysis of compounds produced by biomass combustion, and can be used
in conjunction with conventional approaches to obtain a more detailed characterization
of the chemical composition of particulate matter emitted into the atmosphere
during forest fires. Because this experiment only analyzed five biomass sources,
substantial further research on a large variety of biomass burns will be needed
to identify the majority of compounds produced through biomass combustion. Without
first identifying the compounds produced by biomass combustion, it will not be
known if these compounds pose risks to human health or potentially can affect
the earth’s climate.
Analysis of Mixture Experiments Using Slack Variable
and Mixture Approaches. SAMANTHA
LANDMESSER (University of Tennessee, Knoxville, TN, 37916) GREG F. PIEPEL (Pacific Northwest National Laboratory, Richland, WA, 99352)
In a mixture experiment,
the response variable depends on the proportions of the components, which must
sum to one. Because of this constraint, standard polynomial models cannot be
used to analyze mixture experiment data. To get around this, some researchers
ignore one of the components and use standard polynomial models in the remaining
components. Because the component proportions must sum to one, the ignored
component
(referred to
as the "slack variable" (SV)) makes up the remaining proportion of
the mixture. In the literature, there have been many examples of researchers
using the SV approach instead of a mixture approach. We have analyzed several
of these examples using both approaches. For screening examples, we fit full
linear models and identified which components were important using both approaches.
In six screening examples, the mixture approach revealed that the SV had a significant
effect on the response. For the quadratic examples, we used stepwise regression
to develop reduced quadratic models for the SV approach, and partial quadratic
mixture (PQM) models for the mixture approach. In three examples, the PQM models
identified the SV and/or one of its quadratic blending terms as having a significant
effect on the response variable. Hence, by completely
ignoring a component’s effect on the response, SV analysis carries an inherent
risk of wrong conclusions. There are fewer possible reduced quadratic SV models
than possible PQM models because the reduced quadratic models are a subset of
the class of PQM models. As a result, the PQM models will always fit the data
as well as, or better than, the best reduced quadratic SV model. Our research
concludes that it is better to analyze mixture experiments using methods specifically
developed for them instead of using standard methods with the SV approach.
Automation of Chromatographic Separation Procedures. NICK STUCKERT (University
of Wyoming, Laramie, WY, 82609) ROSI PAYNE (Pacific Northwest National Laboratory, Richland, WA, 99352)
The purpose of this
paper is to provide a detailed discussion of an attempt to automate UTEVA
and TRU gravity chromatographic separation procedures. These procedures
are used for the chemical separation of radioactive elements prior to analysis.
The problems that were encountered will be presented along with solutions
and potential solutions to the problems. The methods for leak detection
and resolution are presented in addition to a suite of additional minor
changes. Some specific suggestions for modifications include the use of
flow meters or creating an open system that relies on gravity filtration.
In both cases substantial work will be required to develop a working system.
Cadmium-doped SiO2 Nanoparticle Label for the Electrochemical Immunodetection
of Protein IgG. XIAOHAI ZHANG (University
of Washington, Seattle, WA, 98105) JUN WANG (Pacific Northwest National Laboratory, Richland, WA, 99352)
Semiconducting nanoparticles
have garnered enormous attention in the field of biosensor development within
the past decade. Due to recent advancements in the control of their growth
size and shape, nanoparticles such as silica MCM-41, which have unique structural
functionalities, are now an applicable material in creating novel methods of
bio-detection. In this report, an amperometric biosensor using biochemically
modified silica nanoparticles was developed for the detection of protein IgG
via sandwich immunoassay. This novel electrochemical immunosensor is based
on the encapsulation of Cadmium ions within mesoporous aluminosilicate nanoparticles
(SiNPs) MCM-41. The synthesized silica NPs - antibody conjugates were then
characterized with electrochemical detection as well as UV spectrum analysis.
Preliminary tests have confirmed that Cadmium ions were immobilized inside
the mesoporous shell of the silica NPs; they’ve also shown that the protein
antibodies were successfully conjugated. In these experiments, the performance
of the electrochemical immunosensor was evaluated via carbon Screen Printed
Electrodes (SPE), and a detection sensitivity of 10ppm was achieved. This report
has shown that SiNPs has great potential for future research and development
of electrochemical bio-sensors; however, optimizations in its synthesis method
are still required to increase the detection limit. Cadmium labeled silica
NPs offers a viable approach for the rapid, simple, and cost-effective analysis
of biological samples.
Characterization of the Sunset Semi-Continuous Carbon
Aerosol Analyzer. JACE BAUER (Purdue University, West
Lafayette, IN, 47907) XIAO-YING YU (Pacific Northwest National Laboratory, Richland, WA, 99352)
Atmospheric carbonaceous
aerosols play
a key role in climate forcing and global
change. In-situ quantification
of carbonaceous aerosols is therefore essential to reduce uncertainty in climate
change models as well as for long-term monitoring by government agencies. The
field deployable Sunset Semi-Continuous Organic Carbon/Elemental Carbon Aerosol
Analyzer (Sunset OCEC) utilizes a modified National Institute for Occupational
Safety and Health (NIOSH) thermal-optical method to determine total carbon (TC),
organic carbon
(OC), and elemental carbon (EC). It can provide in-situ semi-continuous
measurements on an hourly basis; however, its performance is not yet fully characterized.
Two collocated Sunset OCECs, identified as 'Unit A’ and 'Unit B,’ were used to
characterize the relative standard deviation (RSD) and limit of detection (LOD)
between June 23 and July 9, 2007 in Richland, WA. A high efficiency particulate
air (HEPA) filter was utilized to determine the LODs of both instruments. The
RSDs between the two Sunset OCECs are 9.1% for TC, 13.0% for optical OC, and
9.0% for thermal OC, indicating good precision between the instruments. In addition,
the RSD for thermal EC is 29.0%, while optical EC is 48.3%. The LOD for Unit
A is approximately 0.21 µgC/m3 for
TC, optical OC, and thermal OC and ~0.004 µgC/m3 for optical and thermal EC. Similarly, Unit B has an LOD of
~0.29 µgC/m3 for
TC, optical OC, and thermal OC, 0.018 µgC/m3 for optical EC, and 0.004 µgC/m3 for thermal EC. Several factors may have contributed to the
poor RSDs of thermal and optical EC. First, the low EC mass loading at this location
caused uncertainty in the measurements. Second, Unit B EC measurements were affected
by a leakage in the oxygen valve. Third, the non-dispersive infrared detector
in Unit B displayed excessive "noise," resulting in scattered optical
EC measurements, which consequently worsened the comparison between Unit A and
Unit B. Improved RSDs of all OC and EC parameters are expected after Unit B is
repaired. Future work should reevaluate the precision of the Sunset OCECs and
investigate the difference in various thermal-optical protocols on OCEC quantification.
Climate Change: A Systems Perspective on Research at Pacific Northwest National Laboratory. CAITLIN
SHENK (Lehigh University, Bethlehem, PA, 18015) CHARLETTE A. GEFFEN (Pacific Northwest National Laboratory, Richland, WA, 99352)
Many aspects of the natural
environment and human society are significantly affected by changes in climate.
The impacts of climate change on both natural and social systems will be pervasive
and complex,
and are becoming increasingly apparent.
As one of today’s most important and pressing environmental issues, climate change
demands the expansion of fundamental scientific knowledge and the incorporation
of this knowledge into practical mitigation and adaptation strategies. In order
to examine and articulate the critical linkages between earth, energy, and social
systems involved in addressing the climate change issue, an investigation and
synthesis of current research efforts at Pacific Northwest National Laboratory
(PNNL) in Richland, Wash. was conducted. Research initiatives and programs from
divisions across the laboratory were examined, and information was synthesized
to create an initial platform for the development of a comprehensive PNNL climate
research policy and public image. PNNL’s research capabilities were divided into
three categories of scientific and social interest based on gaps in knowledge
about three major climate change questions. First is a question of climate change
sensitivity: how sensitive are climate mechanisms to change? Second is a question
of climate change impacts: how well can these changes, and the impacts of these
changes, be predicted? Third is a question of climate change response: what,
if anything, can be done to mitigate the impact on climate or adapt to the changes?
By providing a useful composite of current issues and trends related to climate
change, this project articulates the integral role of PNNL in climate research
and provides a foundation for continued discussion of current and future scientific
needs.
Combating Nuisance Alarms Caused by "Ship Effect" in 3He Based Neutron
Detection Radiation Portal Monitors. JAMES
BORGARDT, ELISE BUCKLEY and ANNA OLIVERI (Juniata College, Huntingdon, PA, 16652) JAMES ELY (Pacific Northwest National Laboratory, Richland, WA, 99352)
The "ship effect" occurs
when high-energy neutrons produced by cosmic rays strike bulk materials and
produce a burst of neutrons. These ship effect neutrons can present unique
challenges in ongoing efforts to interdict illicit nuclear trafficking at
border crossings. 3He neutron proportional counters, the neutron detection component
in deployed radiation portal monitors (RPM), can generate false positives
due to these neutron spikes, leading to cumbersome and time-consuming secondary
radiation scans. This work explores methods to mitigate these nuisance alarms
through a better understanding of how this effect is manifested in different
materials,
the role of a target materials’ neutron density, and data analysis techniques
to account for its effects. We used a mobile RPM equipped with 3He tubes to detect the neutron flux from several commercial products
containing naturally occurring radioactive materials (NORM), including ceramic
tile, fertilizer, rock salt, cat litter, and lead. We compared the mass density
and neutron density of these materials to their neutron count rates, finding
a linear relationship between neutron density and neutron flux. High neutron
density materials were found to be a greater source of ship effect neutrons.
While neutrons from illicit nuclear sources such as plutonium are Poisson in
their temporal frequency distribution, those from background are not. We found
that ship effect neutrons deviated from a Poisson distribution when binned over
0.1 sec time intervals, however if the neutron flux was averaged instead over
2.0 sec time intervals the ship effect neutron spikes were washed out, recovering
a Poisson distribution. These findings provide underlying knowledge regarding
ship effect neutrons emanating from some common bulk materials, and suggest a
data analysis algorithm to distinguish between innocent ship effect neutrons
and more worrisome neutron-emitting illegal sources.
Comparison of Commercial Office Buildings Using the
NC3 Database. KIMBERLY PETTY (Washington State University, Pullman, WA, 99301)
EMILY RAUCH (Pacific Northwest National Laboratory, Richland, WA, 99352)
The effects of global climate
change and the significant use of energy in the building sector of the United
States has caused huge concern and prompted shifts to more sustainable building
practices.
In order to track the nations’ progress in improving building practices, analysis
of current building practices must be done to create a benchmark. The National
Commercial Construction Characteristics (NC3) database was formed in 2001 to
provide such a benchmark by including building data from construction plans ranging
from 1996-2007. Information collected includes general building information,
envelope data, heating ventilation and air conditioning (HVAC) data, water heating
data, and light fixture data. This information is gathered from design plans
out for bid in the United States using the Dodgeview software that enables the user to perform take-offs from construction
plans. With the information available in the NC3 database, an analysis comparing
old and new office buildings was done to determine changes in the construction
industry. Results showed that some changes have occurred within the eleven year
time span. Differences were seen in the types of windows, wall and roof frames,
water heating and HVAC fuel types, cooling distribution equipment, and lighting
technology types. These suggest that the construction industry is starting to
incorporate newer technologies and methods that will improve building function,
increase energy efficiency, and help protect our natural resources.
Consolidating Three Data Sources Into a Centralized
Data Repository That Can be Accessed by Multiple Systems. TASHA
WHEATLEY (Clarion University, Clarion, PA, 16214) MARK BAYLESS (Pacific Northwest National Laboratory, Richland,
WA, 99352)
The purpose of the system
is to pull data from three different Lotus Domino application databases,
Office of Science Application System (Edulink), SEE Application System (OFP),
and SEE Request System (SEE), into a centralized location. The Edulink system
provides and controls all online applications filed for DOE internships at
any of the national laboratories while OFP merely contains applications for
internal Pacific Northwest National Laboratory (PNNL) internships. In addition
the SEE system allows PNNL mentors to request an intern that applied for
an internship through either the Edulink or OFP systems. Before being pulled
into the private Intern Tracking System database, the original system used
the SEE System to pull information from the Edulink and OFP systems. Because
of complexities in how data was being pulled together by the SEE system from
the Edulink and OFP systems, modifications were needed to address data integrity
issues. The new design provides a Domino agent that executes daily to compile
the necessary data from the three databases. Once the data is compiled, a
Microsoft SQL Server scheduled job runs to load the data from Domino into
SQL Server tables, providing any final data scrubbing such as converting
dates in varchar format to date/time format. A SQL Server view was also created
so the Data Repository (Op Warehouse) can pull and store the data; thus,
allowing several internal systems to access the data from a central source.
This is ideal because it ensures consistent data among the systems. In the
next couple of years the applications are going to be moved from Domino to
a .NET application, which is another reason why these modifications needed
to occur. Whenever the new applications are created, the hope is to ensure
that all necessary
information is available for all systems.
Developing standardized interactions between a variety
of data sources and generally available map-display programs. WILLIAM
KARNESKY (Columbia Basin College, Pasco, WA, 99301)
DAVID MILLARD (Pacific Northwest National Laboratory, Richland, WA, 99352)
There is a wide variety of
free service-based map programs aimed at the general user such as Google Earth,
Google Maps, Microsoft’s Virtual Earth, and NASA’s World Wind. These map displays
allow a user to add their own points of interest in a variety of ways including
place-marks, polygons, and image overlays. There are many tools and applications
that could benefit from the ability to connect their capabilities with a service-based
map display. One example would be to dynamically link an Excel spreadsheet containing
the location of a county’s traffic control points to Google Earth. Currently
there are very few generic tools that provide efficient and standardized ways
to dynamically link an application’s information with a service-based mapping
program. This project’s purpose is to identify and develop mechanisms that make
it simple to link map display capabilities
to an external application. PNNL’s status board system called WebOSB which provides
the dynamic status of user-defined information such as bridges, emergency shelters,
traffic control points, etc. was used to develop an interoperability layer that
will link data sources containing status information to a service-based map display
capability. After a map-display interoperability layer is implemented in WebOSB,
PNNL plans to continue to generalize that capability to allow a quick, seamless
integration of data-oriented systems with a map display capability.
Development and Optimization of Growth Media for Anaeromyxobacter
dehalogenans 2CP-C. ALLISON
SPENCER (Whitman College, Walla Walla, WA, 99362) DAVID CULLEY
(Pacific Northwest National Laboratory, Richland, WA, 99352)
Bioremediation has great
potential for containing and neutralizing toxic materials present in the
environment. Anaeromyxobacter dehalogenans’ ability to reduce different halogenated compounds makes it a
prime candidate for environmental cleanup. Efficient growth conditions are
essential
for timely, cost-effective collection of the Anaeromyxobacter biomass
necessary
for genetic studies of this organism. The increased growth rate of Anaeromyxobacter dehalogenans 2CP-C
based on spectrophotometric assay of optical density was achieved by identifying
nutritional growth requirements and determining optimal concentrations in a defined
media. All Anaeromyxobacter cells were grown anaerobically from freezer stock at 37C in
22mL Balsch tubes without shaking. Cultures were grown in 10mLs media with a
headspace of 90:10 N2:CO2. Experimentation commenced using a defined DCB-1 media which
was continually modified as results were obtained. The optical density indicating
peak cell concentrations resulted from the addition of 30mM Fumarate and 0.5uM
Cysteine with a 40 fold decrease in Selenium and Tungsten concentrations previously
used in a defined DCB-A media. Heat labile vitamins, trace minerals, Sodium Acetate,
Sodium Fumarate, Selenium and Tungsten were added after autoclaving. The optical
density of cell cultures increased from a maximum value of 0.077 after 16 days
under standard conditions to a final density of 0.722 with the altered nutrients
under identical growing conditions. This increase in optical density is proportional
to a ten fold increase in cell biomass.
Development of a Model for Electrical Distribution
Utility Switching Analysis. SHAWN
WALTON (Big Bend Community College, Moses Lake, WA, 98837) CLINT
GERKENSMEYER (Pacific Northwest National Laboratory, Richland, WA,
99352)
The ability to assess and
respond to a situation is imperative in the operation of an electric utility.
Electric utility dispatchers are required to reconfigure the system on a daily
basis, but may not always have the necessary instructions or data to make correct
decisions. The goal of this project was to create a Model for Electrical Distribution
Utility Switching Analysis (MEDUSA). The model was created using Invensys Wonderware,
Practical Extraction and Report Language (PERL) scripts, and a Structured Query
Language (SQL) database. PERL and SQL were used to create simulated electrical
line values, including amps and volts, for two distribution lines. Using Wonderware,
a graphical user interface was created to represent the distribution line system
including breakers, loads, connecting lines, and switches. This interface allows
the dispatcher to manipulate any combination of breakers and switches and view
the resulting configuration and estimated system measurements. Once the configuration
is simulated and optimized, the switches can either be operated directly from
the MEDUSA dashboard or instructions can be given to a lineman to operate them
manually. All possible breaker/switch configurations were tested and proved.
The graphical interface was designed to be visually clutter-free and utilized
color schemes native to the industry. MEDUSA demonstrates the effectiveness of
providing situational awareness to distribution system dispatchers by allowing
them to simulate the new switch configuration and analyze the resulting data
in real time without risk to the system. Further development of this program
could benefit from eliminating the current Wonderware shell and utilizing the
C++ language. This would improve the ability to easily modify or add to the system.
Integration of actual system measurements and the modeling of an entire distribution
system would also need to be addressed for this application to be utilized by
the industry.
Development of an In-Situ Data Logging System for
Multiple Trace Gas Analyzers. JOHN
MIODUSZEWSKI (Edinboro University
of Pennsylvania, Edinboro, PA, 16444)
XIAO-YING YU (Pacific Northwest National Laboratory, Richland, WA, 99352)
A field deployable in-situ data
logging system was developed at Pacific Northwest National Laboratory for
trace
gases including carbon monoxide
(CO), ozone (O3), sulfur dioxide (SO2), and nitrogen oxides including nitric oxide, nitrogen dioxide,
and odd nitrogens (NO/NO2/NOx). On-line data acquisition and calibration are essential to
analysis of observables and data integrity. As such, a program was written to
control the communication between the data logger and each analyzer in Logger
Net, a program used to communicate with the data logger. Analog outputs were
collected by a CR-23X Campbell data logger between July 2, 2007 and August 7,
2007 in Richland, WA, with data being averaged every minute. A dynamic calibrator
was used to calibrate the instruments using a gas standard with NIST certified
concentration. The National Oceanic and Atmospheric Administration’s HYSPLIT
model was used to create a backward and forward trajectory of air during an episode
of peak O3 to determine pollutant sources and sinks. Data collected through
the duration of the sampling period revealed several observations. Concentrations
of all trace gases were low, due in part to the scarcity of pollutant sources
in the region. Preliminary results indicate that the SO2 readings
were considerably lower than the more common mixing ratios of 1-20 ppb in rural-suburban
environments.
NO, NO2, and NOx averaged 0.3, 12.2, and 12.8 ppb, respectively, while the average
CO was 228.5 ppb. Typical O3 in similar environments peaks at 80-150 ppb, but the highest
mixing ratio of O3 observed was less than 45 ppb. HYSPLIT offered no apparent source
for additional pollutants during the high O3 episode, but increased photochemistry due to high temperatures
would explain the increase in O3. The development of the data logging and display system for
key trace gas species is an essential measurement capability. It will facilitate
future field deployment either on the ground or aboard aircraft with minor modifications.
The calibration coefficients determined in this study would provide useful references
of the instrument performance characteristics. In addition, the continuous data
collected could potentially be a unique data set to study atmospheric chemistry
of key trace gas species in a non-urban environment.
Development of EnergyPlus Utility to Batch Simulate Building Energy Performance
on a National Scale. JAYSON VALENCIA (University
of Washington, Seattle, WA, 98195) JAMES DIRKS (Pacific Northwest National Laboratory, Richland, WA, 99352)
EnergyPlus is a simulation
program that requires a large number of details to fully define and model
a building. Hundreds or even thousands of lines in a text file are needed
to run the EnergyPlus simulation depending on the size of the building. To
manually create these files is a time consuming process that would not be
practical when trying to create input files for thousands of buildings needed
to simulate national building energy performance. To streamline the process
needed to create the input files for EnergyPlus, two methods were created
to work in conjunction with the National Renewable Energy Laboratory (NREL)
Preprocessor; this reduced the hundreds of inputs needed to define a building
in EnergyPlus to a small set of high-level parameters. The first method uses
Java routines to perform all of the preprocessing on a Windows machine while
the second method carries out all of the preprocessing on the Linux cluster
by using an in-house built utility called Generalized Parametrics (GPARM).
A comma delimited (CSV) input file is created to define the high-level parameters
for any number of buildings. Each method then takes this CSV file and uses
the data entered for each parameter to populate an extensible markup language
(XML) file used by the NREL Preprocessor to automatically prepare EnergyPlus
input data files (idf) using automatic building routines and macro templates.
Using
a Linux utility called “make”, the idf files can then be automatically run through
the Linux cluster and the desired data from each building can be aggregated into
one table to be analyzed. Creating a large number of EnergyPlus input files results
in the ability to batch simulate building energy performance and scale the result
to national energy consumption
estimates.
Development of Production and Purification Procedures
for Calbindin D9k Mutants for Solid State Nuclear Magnetic Resonance Spectroscopy. SHELLY NI (Stanford University, Stanford, CA, 94305) ROBERT HECK (Pacific Northwest National Laboratory, Richland, WA, 99352)
Development of the New AutoCAD Layering Standard. THOMAS MCMILLIN (Columbia Basin
Collage, Pasco, WA, 99301) SHAUNA ANDERSON (Pacific Northwest National Laboratory, Richland, WA, 99352)
The Engineering and Design
Services group of the Facilities and Operations directorate at the Pacific
Northwest National Laboratory design and draft their projects on the AutoCAD
program that is put out by Autodesk. The need for a standard layering system
is critical to stay organized and consistent. Layers are used in AutoCAD to
differentiate between types of objects. Most of the drawings that are drafted
contain different disciplines in them such as, architectural and electrical.
There is a National CAD Standard already developed; however there is an over-abundance
of layers that fall outside the scope of what would be used. It was decided
to use a modified version of the general layout of the national standard. The
research team investigated all of the disciplines that are used at Pacific
Northwest National Laboratory. Then layer names were developed in a matrix,
using the Microsoft Excel program. After verifying the new matrix, the layer
names were transferred into the AutoCAD program. Line types, line weights,
and colors were added to the layers. Layers were organized by discipline and
systems to be incorporated into drawings as they are needed. After the addition
of 744 layers into the program, the comprehensive layering standard was unparallel
to any of the standards that were in place. There will now be very little that
is drawn which does not have a layer assigned to it. If there is something
drawn that does not fit one of the other layer categories, a miscellaneous
layer exists. As a living document, the AutoCAD layering scheme can be reviewed
and revised when needed. This project not only provides a greater understanding
of what goes into an official drawing, it lays a foundation for consistent
drawings within the Engineering and Design Services group for many years to
come.
DHS Analyist Software Implimentation. CHRISTOPHER
WHITEHOUSE (Big Bend Community
College, Moses Lake, WA, 98837) MARY SUE HOXIE (Pacific Northwest National Laboratory, Richland, WA, 99352)
The objective is to see how
analytical programs such as Collaborative Analytical Tool (CAT), ProSPECT, IN-SPIRE,
and Analyst Notebook (ANB) will help in analyzing investigative data. Before
any of the tools could be used we needed to convert the data into a usable format,
plain text. My lab partner, Sherwin Hunte, created a program to automate extraction
of a PDF (portable document format) file into separate smaller PDF files. After
converting all the documents we imported the data into the separate programs.
I used CAT to index all of the files related to the data. These files included
Excel, Access, Adobe Acrobat, and text documents. CAT is very useful because
it can index several different file types and group them into different data
sets. I also imported the data into the ANB program and created timelines for
the data. This was a very useful tool except after importing the data it requires
a lot of the organizing of the timeline by hand. These analytical programs simplify
looking at data that is convoluted. They allow us to visually search through
and cross reference the data. These programs also make it a lot easier to find
specific information and reference it as needed to support or refute Hypotheses,
which allows for stronger hypotheses and better understanding of the data being
analyzed. Though the way the data is gathered may need revising, I do think these
tools would be helpful to any analyst working
with convoluted or disjoined data.
Doping of TiO2 (with C and S) for visible-light absorption. ROHIT BIYANI (Washington State University, Pullman, WA, 99163)
THEVA THEVUTHASAN (Pacific Northwest National Laboratory, Richland, WA, 99352)
Hydrogen proves to be
a very clean and efficient fuel source; unfortunately obtaining large quantities
of it is not cheap. One of the potential methods of obtaining hydrogen involves
photocatalytic splitting of water molecules with Ultraviolet light using
Titanium Oxide (TiO2) as the catalyst. However, an Ultraviolet light source
is expensive; a cost efficient substitute is visible light or sunlight. Band
engineering of TiO2 single crystals with appropriate dopants can facilitate
photocatalytic activity for visible-light absorption. Anion dopants such
as Nitrogen, Carbon and Sulfur have been implanted into the TiO2 substrate,
and it has been demonstrated that some of these implanted materials can absorb
visible light for photochemistry. Our overall objective is to develop fundamental
scientific understanding about the mechanisms associated with photochemistry
in these materials. In this study, we used ion accelerator to implant C and
S dopants in single crystal TiO2 (110) samples and to investigate the structural
changes in the materials. The samples were implanted at various temperatures
and doses, the lattice site location of the dopants were analyzed using ion
beam capabilities. The implanted TiO2 substrates were characterized using
Nuclear Reaction Analysis (NRA), Rutherford Backscattering Spectrometry (RBS),
and Proton Induced X-ray Emission (PIXE) methods in random and channeling
geometries. Although PIXE is extremely sensitive to trace elements, S quantification
could not be made using PIXE due to the domination of the signal from Ti.
The signal from S could not be collected without too many uncertainties.
The RBS along channeling and random geometries showed that the greater the
temperature of implantation, the less the damage was on the surface. Also
a lower Carbon
dose at a high temperature of 900° C shows some substitutional behavior of the
Carbon atoms replacing possibly Oxygen in the TiO2 lattice. The samples were
finally annealed at 900oC in air for several hours and as expected, the implantation
damage was significantly reduced in the annealed samples. In addition, the angular
yield curves show that the C atoms moved to interstitial positions during annealing.
Further experiments are necessary to understand the influence of C dose on this
behavior of C location in TiO2 lattice.
Dynamic Dissolution Testing of Nanoporous Niobium
Phosphate. KATHERINE HARRIS (The College of William and Mary, Williamsburg, VA, 23186) DAWN WELLMAN (Pacific Northwest National Laboratory, Richland, WA, 99352)
Leaks in storage tanks
holding radioactive waste on the Hanford Site and other Department of Energy
(DOE) sites have led
to a need for in
situ soil and groundwater remediation techniques. Nanoporous transition
metal phosphates have been shown to be effective in reductively sequestering
radionuclides, but their stability within subsurface conditions has not been
evaluated. A conservative estimate of the stability of nanoporous niobium phosphate
(NP-NbPO) was quantified using single-pass flow-through (SPFT) dissolution testing
under the pH range of 6-9 at 90°C. The tests were run until a steady-state rate
of dissolution was reached. Inductively coupled plasma-optical emission spectroscopy
(ICP-OES) analysis of effluent samples indicates that at 90°C the dissolution
rate of NP-NbPO, 4.31 x 10-7 mol
m-2 s-1,
is independent of pH. The high, pH-independent stability of NP-NbPO suggests
it may serve as a stable, highly effective radionuclide barrier within the subsurface
environment. Further quantification of dissolution rates under the temperature
range of 5° to 60°C and evaluation of the migration of NP-NbPO through the vadose
zone is pending. However, preliminary results show that NP-NbPO is a promising
candidate for in
situ remediation for radionuclide-contaminated soil and groundwater.
Effects of Burrow Characteristics on Temperature in
Simulated Owl Burrows. LUCY TRAN (University
of California, Los
Angeles, Los Angeles, CA, 90024)
COREY A. DUBERSTEIN (Pacific Northwest National Laboratory, Richland, WA, 99352)
Western burrowing owls (Athene cunicularia hypugaea)
are thought to be declining throughout their North American range.
Reasons for their decline include the eradication of the fossorial
mammals whose burrows they require and loss of habitat to urban and
agricultural development. Many studies have investigated the aboveground
characteristics of burrows and nest sites to determine their relationships
to nest site selection, incubation, and productivity. Very little research
has assessed the influence of the belowground environment on these
processes. One aspect of belowground environment that may influence
owls is microclimate (i.e., temperature and gas concentrations). This
study examined the effects of two proximate factors that may influence
owls when choosing nest sites on daily minimum and maximum temperatures
within burrows: tunnel diameter and entrance aspect. Burrow temperature
was recorded using DST milli™ archival temperature tags at three depths
within replicate north- and south-facing simulated burrows of 7.6-,
10.2-, and 15.2-cm diameters at two sites near Richland, WA during
July and August 2007. Daily minimum temperature ranged from 21.8 to
27.5ºC, while
daily maximum temperature varied between 26.4 and 29.5ºC. Both daily minimum
and maximum temperature differed between the two sites and was affected by tunnel
diameter. Daily maximum temperature was additionally affected by aspect. The
observed diel temperature regimes indicate that south-facing burrows of smaller
diameter may be more physiologically and reproductively advantageous for burrowing
owls than north- and south-facing burrows of other sizes. Such information could
be incorporated into the design and implementation of artificial burrows that
would be thermally appropriate for burrowing owls.
Effects of Radiotransmitters on Woodhouse's Toad. BROCK MILLER (Washington State University, Pullman, WA, 99164)
JAMES BECKER (Pacific Northwest National Laboratory, Richland, WA, 99352)
Radio telemetry is being
used to study
the post-breeding dispersal and home range
of woodhouse’s toad (Bufo Woodhousii) on the Hanford Reach in southeastern Washington.
However, little is actually known about whether transmitters attached to anurans
affect their mobility and ability to avoid predation. Most studies assume that
attaching transmitters causes little to no effect on anuran behaviors. We conducted
an experiment designed to determine if the attachment of radio transmitters on
anurans affects their ability to successfully bury in loose soil. Experiments
were conducted using Woodhouse’s toads collected at night. Timed tests were conducted
of individual toads burying under controlled conditions during daylight hours
of the following day. Three treatments were assigned to each toad consisting
of the transmitter positioned, 1) on the posterior and 2) on the anterior side
of the individual, and 3) with a control where no transmitter was attached. Results
indicated that the capability of the toads to bury and the amount of time spent
burying were not different with and without transmitters. In this experiment
transmitters that were less than 10% of the toad’s total biomass appeared to
have no negative effects on burying ability.
Elemental Analysis of a Shrub-Steppe Soil. RACHAEL KALUZNY (Western Michigan University, Kalamazoo, MI, 49071) JAMES MCKINELY (Pacific Northwest National Laboratory, Richland, WA, 99352)
Scanning electron microscopy
is an important research tool used widely today in areas such as medical evaluation,
forensics evidence examination, and scientific research. Electron microscopes
use a beam of highly energetic electrons to examine objects on a microscopic
scale. This examination can yield: topography, morphology, composition, and crystallographic
structure. Advanced automation on the ASPEX Personal Scanning Electron Microscope
(PSEM) 3025 was used to acquire elemental data on a shrub-steppe soil sample
obtained from the Yakima Valley near Sunnyside, WA. The PSEM 3025 was designed
for semi-automated imaging and analysis of inorganic specimens in the millimeter
to sub-micron range. The shrub-steppe soil was analyzed at 20kV with a working
distance of 18.4 mm and an emission current of 112 µA. The automated run performed
energy dispersive x-ray spectroscopy (EDS) on each particle. EDS is a technique
based on characteristic X-ray peaks which are generated when an electron beam
interacts with the specimen. Characteristic x-rays are produced for each element
present in the region being analyzed. Comparison of the intensities of x-ray
peaks are then used to verify the relative abundance of each element in the analyzed
region. A total of 6611 particles were analyzed on the soil sample. Rule files
were developed to define membership classes based on chemical properties and
elemental ratios. Particles were grouped into the defined classes as the data
was being acquired. From these results it can be seen that the shrub-steppe sample
consists primarily of silicates containing iron, aluminum, and calcium. This
is consistent with the composition of silt
loam soils in the Yakima Valley.
Establishing Atmospheric Background Ion Levels for
the Stand-Off Detection of Ion Sources. MARC
PENALVER AGUILA (Montgomery College, Rockville, MD, 20850) JEFFREY GRIFFIN (Pacific Northwest National
Laboratory, Richland, WA, 99352)
Airborne ion counts can be
used to estimate the source and intensity of combustive and electrostatic activity.
To determine the minimum threshold for stand-off detection of ion sources, it
is necessary to establish the background levels of ions in the lower atmosphere.
Source detection depends on the ability to distinguish between regular background
variations and exceptional activity. Natural occurrences such as the diurnal
cycle, clouds passing overhead, or changing weather conditions all may contribute
to increased ion formation. Gerdien condensers, which draw a constant stream
of air through an electric field, were used for sampling atmospheric ions. All
samples were taken through the exhaust of a fume hood. Due to a possible thermal
response from the operational amplifiers used to magnify the signal, the electronics
were calibrated for temperature. An analysis of frequency of ion level variation
was performed. Abnormal weather phenomena were noted and correlated to ion levels.
Finally ion sources were placed in the hood to determine the sensitivity of the
gerdiens. The electronics were found to have a minimal thermal response within
the range of temperatures observed during the experiments. No multiplier or offset
was needed to normalize the data. Fourier analysis revealed that the diurnal
cycle was the only regular period linked to a variation in ion levels. A significant
change in ion levels was associated with a thunderstorm. Moreover, the gerdiens
were found to be highly sensitive to ions drawn through a fume hood. Nearby ion
sources could easily be detected by the gerdiens, despite regular temperature
and diurnal variations. The range of detection of known activity merits further
investigation, as does the discrimination of sources by ion polarity. Possible
applications of ion sensors include off-site and stand off detection of motor
vehicles, abnormal laboratory conditions, and other ionizing sources.
Extracellular Translocation of Recombinant MtrC and
OmcA by Type II Secretion System. SHIRABRANDY
GARZA (Washington State University, Pullman, Wa, 99163)
LIANG SHI (Pacific Northwest National Laboratory, Richland, WA, 99352)
Dissimilatory reduction of metal (e.g.
Fe, Mn) (hydr)oxides represents a challenge for microorganisms, as their cell
envelopes are impermeable to metal (hydr)oxides that are poorly soluble in water.
Outer membrane decaheme c-type cytochromes MtrC and OmcA of Shewanella oneidensis
MR-1 are extracellular lipoproteins important for dissimilatory reduction of
solid metal (hydr)oxides during anaerobic respiration. To investigate the roles
of type II secretion system (T2S) in translocation of MtrC and OmcA across outer
membrane, we measured the effects of deleting two T2S genes, gspD and gspG, on
the secretion of recombinant MtrC and OmcA when cells were grown under anaerobic
conditions. Deletion of gspD or gspG resulted in slightly yellowish supernatants
of cell culture, different from the pink supernatant of wild type (wt). Subsequent
analysiss with heme-staining and Western blot showed that deletion of gspD or
gspG not only reduced the abundances of recombinant MtrC and OmcA in the supernatants,
but also increased their abundances inside the cells. Thus, our results indicate
that T2S facilitates translocation of recombinantMtrC
and OmcA across outer membrane.
FitNesse: Application of a Software Testing Framework to the Bioinformatics
Resource Manager. JONATHAN RICE (University
of Nebraska-Omaha, Omaha, NE, 68182) ANUJ SHAH (Pacific Northwest National Laboratory, Richland, WA, 99352)
One of the goals of a software
development team is the delivery of quality software in a timely fashion. The
importance of thoroughly testing a software product can never be overstated.
However, testing the functionality of software, especially ones with graphical
user interfaces (GUIs), is often a laborious process due to the amount of time
required, difficulty of testing consistently, uncertainty of what exactly should
be tested, and the lack of easy-to-use testing frameworks. Other considerations
include minimal impact on existing code, a straightforward script writing process,
and automated execution of test suites. The project goal was to integrate an
existing automated testing framework into the Bioinformatics Resource (BRM)
application to facilitate the automated testing of key functionality. Previously,
testing was manual and most functionality testing occurred just prior to version
releases, rather than progressively. Project development utilized the FitNesse
testing tool, which allows for the creation and running of acceptance tests
against GUI-based software; BRM; and the Java programming language. The ease
of use, the script-based test case development and the WIKI-like execution
engine make FitNesse amenable to use by non-developers. The new test environment
allows convenient, consistent,
and defined testing.
Friction Factors Appropriate to the Application of Ultra-filtration to Radioactive
Waste. ADRIANA CONTRERAS, HENRY FOUST and MARC STEVENS (Nicholls State University, Thibodaux, LA, 70301)
REID PETERSON (Pacific Northwest National Laboratory, Richland, WA, 99352)
The U.S. Department of Energy’s
(DOE’s) Hanford Site was developed during World War II to produce weapons-grade
plutonium. This and other activities resulted in 60,000 metric tons waste stored
in 177 underground storage tanks (UST). Some of these USTs have leaked into the
subsurface. Because of this and other environmental concerns, DOE and Bechtel
National, Inc. (BNI) are designing a Waste Treatment and Immobilization Plant
(WTP) to treat the radioactive waste. A critical element of the WTP is an ultra-filtration
process (UFP) that separates the radioactive slurry into high-level waste (HLW)
and low-activity waste (LAW) forms. However, the productivity of the UFP in terms
of HLW and LAW is in question and one approach to addressing production maximization
is to understand the conditions to maximize permeate rates. This is predicated
on understanding the relationship between axial velocity and pressure drop, which
is the subject of this research. There are several approaches to modeling v versus
p. For example, researchers at Savannah River National Laboratory compared the
Blasius model to experimental data collected from the Filtration Research Engineering
Demonstration apparatus. They observed that the Blasius model under-predicted
the data. Our approach is to use the Darcy-Weisbach equation, which includes
a friction factor
that has been determined using Prandtl’s Mixing-Length Theory. The friction factor
is a function of Reynold’s number (Re) and a parametrically defined coefficient
B. This B coefficient is possibly a function of several non-dimensional numbers.
The results show that the appropriate model for B is a function of Cp (coefficient
of pressure) and length divided by diameter. Our results also show that one model
works well for a particular apparatus when treating diluted slurries, but it
is not as effective when applied to more prototypical slurries. Different models
are developed for more prototypical slurries on the 07 Cell Unit Filtration Systems
for low and high solids, which may be an influence of the fluids behavior from
Newtonian to non-Newtonian. Through our understanding of this basic science,
a better knowledge base will be formed to assess the productivity of the UFP,
which helps the Pacific Northwest National
Laboratory’s goal to give research and development support to DOE and BNI.
Functional analysis of different G protein coupled receptors (GPCRs) in Aspergillus niger. MONICA
HU (Massachusetts Institute of Technology, Cambridge, MA, 2139) ZIYU DAI (Pacific Northwest National Laboratory, Richland, WA, 99352)
Aspergillus niger (A. Niger), a model
industrial fungus that annually produces more than 4 million tons of citric acid
globally, can grow at an extremely low pH and form small pelleted morphology,
an ideal morphology for use in the industrial production of bioproducts. Understanding
the molecular mechanisms of fungal morphology is a prerequisite for the improvement
of bioprocess productivity via genetic engineering. G protein systems, the upstream
components of the signal transduction pathway, have been found to be involved
in the regulation of fungal growth and development. Previous studies have demonstrated
that the G protein beta subunit and one of the alpha subunits were involved in
regulation of A. niger morphology. In this study, the involvement of the G-protein
coupled receptors in A. niger morphology was examined via gene deletion analysis.
A polymerase chain reaction (PCR) based strategy was used to generate gene-deletion
mutants in A. niger using the selective marker gene hygromycin B phosphotransferase.
The genomic DNA was isolated from these transformants and gene replacements were
confirmed by PCR. The G protein coupled receptors A, F, and H were successfully
deleted via homology replacement. Single spores of those selected transformed
events were isolated. The deletion effects of selected genes on citric acid production
and morphology will be examined by culturing in different culture conditions.
Through this and other examinations, the functions of those selected G-protein
coupled receptors of A. niger can be better understood. This knowledge can be
applied to other fungal strains used for producing different bioproducts. As
a result, the morphology of these fungi can be effectively controlled for optimal
bioproduct production.
Gas retention and release in the presence of an Anti-Foaming Agent during the
nuclear Waste Treatment Process. WESLEY
JOHNSON (Bevill State Community College, Fayette, AL, 35555)
CONSUELO GUZMAN-LEONG (Pacific Northwest National Laboratory, Richland, WA, 99352)
Nuclear waste stored at
the Hanford site in Richland, Washington, will be vitrified in order to dispose
of the waste in an environmentally sound manner. Hydrogen gas generated by
radiolysis within waste processing tanks in the Waste Treatment Plant (WTP)
could combust under some upset conditions, posing a significant safety concern.
The Anti-Foaming Agent (AFA) research team utilized a Quarter Scale Lag Storage
system to facilitate gas hold-up and release testing in simulated waste materials
mixed using a hybrid system comprised of pulse jet-mixers (PJMs) and spargers.
We utilized PJMs and spargers because they are the most effective method of
mixing, requiring the least amount of maintenance. Mixing the waste creates
larger bubbles than the bubbles from the waste itself and these larger bubbles,
in connection with the actual mixing, allow for the release of the gases at
the surface of the waste. This waste is an assortment of varying by-products
exhibiting non-Newtonian rheology which determines how and when gases will
be released. Data collected will address potential hazards during pretreatment
processes by determining whether or not a significant portion of potentially
flammable gases will be released during the mixing phase and whether or not
an alternative AFA must be utilized in order to minimize gas retention. My
team administered a series of tests to collect data for extrapolation to full
scale operations. One series consists of water visualization tests with and
without AFA, another of clay, a third of simulant with and without AFA, a fourth
of simulant using research-determined, bounding yield stress for gas retention
or ~13 Pa. - depending on which of the two is lower - with AFA or an alternative
AFA, and a final series of simulant with an alternative AFA. Varying yield
stresses of ~ 3, 13, and 30 Pa. were used in the clay and simulant testing
series because previous research suggested that the AFA impact upon gas retention
differed depending on the yield stress of the simulant. Our team employed hydrogen
peroxide as the most effective method of generating gas bubbles for testing
without introducing significant error to the research. Results are not available
because testing is in progress.
Our team’s information will be used to determine appropriately safe working conditions
as they pertain to gases escaping during the waste treatment and if a different
type of AFA is necessary to also reduce dangers.
Heterogeneity of Aquifer Materials and Spatial Variability
in the Carbon Tetrachloride Plume in the 200-West Area, Hanford
Site. TAMARA
JEPPSON (Utah State University, Logan, Utah, 84322)
GEORGE V. LAST (Pacific Northwest National Laboratory, Richland, WA, 99352)
The migration and transformation
of groundwater contamination is affected by the physical and chemical heterogeneity
of the lithofacies that make up aquifer material. At the 200 West area of Washington
State’s Hanford Site a plume of carbon tetrachloride (CCl4) is located in the
unconfined aquifer. Remediation of the plume requires accurate models of the
subsurface that show the lithofacies and their affect on the migration of CCl4
in the aquifer. To add detail to previous models a 2.87 km long transect along
the eastern part of the 200 West area was chosen. The transect passes through
eight wells; the borehole and geophysical logs from these wells were standardize
and interpreted to create a geologic cross section showing the depth and continuity
of the lithofacies. Depth discrete measurements of the concentration of CCl4
and chloroform (CHCl3), which forms as a result of the dechlorination of CCl4,
were used to infer the extent of the contaminant plume. The high concentrations
of CHCl3 occur in the same areas of the cross section as the high concentrations
of CCl4, their correlation suggests that geochemical reactions maybe causing
the dechlorination of the CCl4. A comparison of the contaminant concentrations
and stratigraphy shows that the highest concentrations of the CCl4 and CHCl3
occur around and are confined by fine grained layers. Within the fine-grained
layers the concentration of CHCl3 is higher than it is outside of the layer indicating
that reduced zones and iron-containing sediments, needed for the dechlorination
of CCl4, may be present in high amounts in these layers. In the southwest end
of the cross section there are high concentrations of CCl4 and CHCl3 that apparently
do not occur near a fine grained layer. This difference implies that there maybe
reduced, iron-containing sediments within the coarse-grained layers as well as
the fine-grained layers The influence of reduced zones and fine-grained layers
on the contaminant plume indicates that improved understanding of the spatial
variability of these reactions should improve fate and transport predictions
and lead to better remediation decisions.
Hydrogen Production by the Cyanobacterium Plectonema boryanum: Effects of Initial
Nitrate Concentration, Light Intensity, and Inhibition of Photosystem
II by DCMU. BLAINE
CARTER (Northwest Nazarene University, Nampa, ID, 83686)
MICHAEL HUESEMANN (Pacific Northwest National Laboratory, Richland, WA, 99352)
The alarming rate at which
atmospheric carbon dioxide levels are increasing due to the burning of fossil
fuels will
have incalculable consequences if disregarded. Fuel cells, a source of energy
that does not add to carbon dioxide emissions, have become an important topic
of study. Although significant advances have been made related to fuel cells,
the problem of cheap and renewable hydrogen production still remains. The cyanobacterium
Plectonema boryanum has demonstrated potential as a resolution to this problem
by producing hydrogen under nitrogen deficient growing conditions. Plectonema
boryanum cultures were tested in a series of experiments to determine the effects
of light intensity, initial nitrate concentration, and photosystem II inhibitor
DCMU (3-(3,4-dichlorophenyl)-1,1-dimethylurea) upon hydrogen production. Cultures
were grown in sterile Chu. No. 10 medium within photobioreactors constantly illuminated
by halogen lights. Because the enzyme responsible for hydrogen production is
sensitive to oxygen, the medium was continuously sparged with argon/CO2 (99.7%/0.3%
vol/vol) by gas dispersion tubes immersed in the culture. Hydrogen production
was monitored by using a gas chromatograph equipped with a thermal conductivity
detector. In the initial experiment, the effects of initial nitrate concentration
were tested and results revealed cumulative hydrogen production was maximum at
an initial nitrate concentration of 1 mM. A second experiment was then conducted
at an initial nitrate concentration of 1 mM to determine the effects of light
intensity at 50, 100, and 200 µmole/m2·sec. Cumulative hydrogen production increased
with increasing light intensity. A final experiment, conducted at an initial
nitrate concentration of 2 mM, tested the effects of high light intensity at
200 and 400 µmole/m2·sec. Excessive light
at 400 µmole/m2·sec decreased cumulative hydrogen production. Based upon all
experiments, cumulative hydrogen production rates were optimal at an initial
nitrate concentration of 1 mM and a light intensity of 100 µmole/m2·sec. DCMU
was shown in all experiments to severely decrease hydrogen production as time
progressed. With the information acquired so far, future experiments with reducing
substances could determine maximum rates of hydrogen production. If maximum hydrogen
production rates proved to be large enough, Plectonema boryanum could be grown
on an industrial scale to provide hydrogen gas as a renewable fuel.
Impact Assessment of Plug-In Hybrid Electric Vehicles. ALEXANDER
EXARHOS (Grinnell College, Grinnell, IA, 50112) MICHAEL KINTNER-MEYER (Pacific Northwest National Laboratory, Richland, WA, 99352)
Plug-in hybrid electric
vehicles (PHEVs) have been considered and analyzed as a means of reducing dependency
on foreign petroleum and reducing greenhouse gas emissions. PHEVs store energy
supplied by the power grid in an onboard battery to support the vehicle to
drive only on electricity or in an electric-assist mode that utilizes both
the electric motor and the internal gasoline engine. PHEVs overcome the limited
driving range shortcoming that limited the market acceptance of electric vehicles
in the 90s
by using the gasoline engine for distances
that exceed the battery’s driving range. A brief study was conducted that analyzed
the impacts of PHEVs on the gasoline consumption and CO2 emissions in the US.
The analysis was based on a spreadsheet tool that models the effects of a set
of PHEV penetration scenarios with varying market shares (25, 50, and 100 percent)
of the light duty vehicle fleet (i.e., cars, pickup trucks, vans, sport utility
vehicles). The same tool was also used to explore policy options that would achieve
a stabilization of CO2 emissions in the Northwest. The results showed that PHEVs
could have a significant impact on reducing CO2 emissions and on reducing gasoline
consumption. This tool also showed that emissions and consumption could be stabilized
if the fleet average fuel economy were to grow at the same rate as the fleet,
resulting in 34 miles per gallon by 2050 if started in 2018. Similarly, CO2 emission
stabilization can also be achieved with a PHEV penetration trajectory that accurately
off-sets the incremental emissions from a growing future vehicle stock. The potential
of PHEVs to reduce gasoline consumption and harmful emissions emphasizes the
environmental benefits of this emerging technology, and it sets the stage for
future research into the technical problems facing PHEVs.
Improving Efficiency of Washington Commercial Buildings. DANNY TAASEVIGEN (Montana State University, Bozeman, MT, 59715) SRINIVAS KATIPAMULA (Pacific Northwest National Laboratory, Richland, WA, 99352)
Commercial buildings in
Washington are currently the fastest growing electricity-consuming sector using
roughly
36 percent of the state’s electric energy at a cost of about $1.7 billion annually.
As a result of inefficient operations of heating, ventilation, and air conditioning
(HVAC) units, experts estimate that about 10 to 30 percent of this energy is
wasted. To recover this wasted energy, Battelle has targeted large and small
commercial buildings for re-tuning. Large commercial buildings (greater than
100,000 square feet) use sophisticated building automation systems (BASs) to
manage a wide range of building equipment. These systems need periodic tuning
to ensure maximum efficiency, which HVAC service providers will provide through
training from Battelle. Small commercial buildings (less than 50,000 square feet)
typically lack sophisticated controls, so Pacific Northwest National Laboratory(
) has developed a low cost, wireless sensing control and conditioning monitoring
technology that will be implemented onto these buildings’ packaged rooftop units.
There were two successful contributions made to the project this summer. First,
specified commercial buildings provided past utility bills (March 2006 to February
2007), which allowed recording of past electric energy consumption. Then, with
recorded temperature data for the corresponding month, a regression analysis
was performed for each building, comparing energy consumption versus temperature.
These pre-installation performance models will allow for the calculation of the
baseline energy use at the end of the project. Once the buildings are re-tuned
by Battelle trained service providers, monitoring will commence for the same
time period. This will allow for a comparison with pre-re-tuning data, which
will then provide necessary data for a savings analysis. For the small commercial
buildings’ wireless sensing controls, a mounting technology was designed to hold
the sensor secure while attached onto the side of the HVAC unit. These sensors
will monitor the unit’s performance and alert service providers of maintenance
issues that need attention. These contributions aid in the projects’ aim at reducing
and monitoring energy use in Washington buildings.
Investigating Further Applications of Electric Power
Grid Data Visualization Using GreenGrid Software. JEFF
OTTO (The University of Idaho, Moscow, ID, 83843)
KEVIN SCHNEIDER (Pacific Northwest National Laboratory, Richland, WA, 99352)
Clear and concise system
reports are
essential for the proper operation of the
nation’s electricity infrastructure. The GreenGrid visualization program was
developed to give system operators and planning engineers an effective visualization
of the nation’s electricity infrastructure. Using this program in real-time will
allow system operators to detect the presence and location of potential system
vulnerabilities. With the existence of potential system vulnerabilities identified,
the operators will gain a better situational awareness, be able to reduce the
occurrence of blackouts and mitigate their impact when they do occur. While Green
Grid shows promise, it is still in the prototype phase and requires validation.
Research was conducted to identify where GreenGrid would be of the most use as
a visualization tool. Tests were conducted by comparing the visualization of
power system characteristics under both normal and stressed conditions. GreenGrid
was ultimately shown to produce distinct visual indications of increased power
flow through constrained transmission areas. The evidence produced by this experiment
further solidifies GreenGrid’s position as a truly novel and useful visualization
program.
Ion beam analysis for the investigation of Bozzolo-Ferrante-Smith
predictions of interface stability. KASEY
LUND (montana state university, Bozeman,
mt, 59715) SHUTTHA SHUTTHANANDAN (Pacific Northwest National Laboratory, Richland, WA, 99352)
The world of nanotechnology
is upon us. Today there are a myriad of techniques for growing thin films only
nanometers thick. With all the knowledge we have of the laws of physics, we still
do not fully understand the interactions of thin metal-metal structures. Currently
there is a large effort to grow films with flat, chemically abrupt interfaces
that would be applicable to industries making thin film sensors and magnetic
data storage devices. One model, known as the Bozzolo-Ferrante-Smith (BFS) model,
predicts that a thin layer of either titanium or vanadium can be used to suppress
the interdiffusion of aluminum and iron at the Al-Fe interface. Studies of Ti
behavior have already been performed, however little is know about the behavior
of V. In order to contribute more information to this comprehensive model that
would reliably predict atomic behavior at the nano scale, a thin layer of vanadium
was deposited between iron and aluminum. Using an RF magnetron sputtering chamber,
different combinations of Al, Fe, and V layers were deposited onto a silicon
substrate. The samples were analyzed with Rutherford Backscattering Spectroscopy
(RBS) to identify the thickness of the layers and to look for interdiffusion
between layers, and with X-ray Reflectivity (XRR) to complement the RBS data.
The samples were then annealed for various times and reanalyzed with the same
techniques. From the RBS and XRR it can be seen that diffusion occurs at the
Al-Fe interface during growth and that the diffusion layer will increase after
annealing. When Ti was placed between Al and Fe, the Ti hindered the interdiffusion
of Al and Fe before and after the annealing up to 350 oC. However, the V did
little to suppress the interdiffusion before or after the annealing. The BFS
model correctly predicted the behavior of the Al/Ti/Fe structure, but it was
incorrect with regards to the behavior of V. With these results it can be seen
that the BFS predictions are not completely correct. Future experiments will
be conducted to further improve the BFS calculations.
Isolation of Organelles in an Itaconic Acid Producing
Anamorphous Fungus. DARBY BENNETT (Walla
Walla Community College, Walla Walla, WA, 99362) ELLEN PANISKO (Pacific
Northwest National Laboratory, Richland, WA, 99352)
Filamentous fungi have been
identified as platform organisms by the Department of Energy (DOE) in that they
can be used
for several different applications including: making industrial chemicals, use
in pharmaceutical drugs and treatments, and conversion of biomass into usable
fuels. The ability of Aspergillus terreus, ATCC strain 32359, to produce itaconic
acid and a method to determine how production can be improved is one focus of
our research program. Itaconic acid or methylene succinic acid is an unsaturated
organic compound made in a portion of the Krebs cycle which produces copolymers
used in strictly non-food products. It is not known which proteins are involved
in the process that allows one strain of fungus to produce high amounts of itaconic
acid, while others do not make this acid, but it is thought that some of the
proteins responsible that have increased expression during the hyper productive
growth state are involved in substrate/product transport. To examine this theory,
the components of the cell membranes and mitochondria during the non-productive
and hyper productive growth states were isolated. To accomplish this, several
different digestive enzymes and centrifuging techniques were used. At each stage
of the process, samples were collected and examined to determine the protein
concentration and cell components present using protein assays and spectrophotometry.
Proteins isolated from the organelles were separated according to size by gel
electrophoresis, and probed by Western analyses to determine the extent of organelle
enrichment. Preliminary results show that there are more proteins present in
the hyper productive state than in the non-productive state, although this may
be due to an increase in initial biomass collected for the hyper productive state.
Follow up analyses will examine the proteins expressed in the two disparate itaconic
acid production states to identify those proteins that may be responsible for
hyper productivity. If the specific proteins responsible for increased production
of itaconic acid can be identified and isolated, A. terreus can be engineered
to produce industrially relevant quantities of itaconic
acid.
Just in Time Data Retrieval using Python. ELVIRA
MEZA (City University
of Seattle, Bellevue, WA, 98005)
LANCE VAIL (Pacific Northwest National Laboratory, Richland, WA, 99352)
Vail and Skaggs (2002)
describes the conceptual design of a system to improve natural resources
management in the Columbia River Basin. A key feature of this proposed system
is the need to access
data from distributed servers on a "just
in time" basis. This capability is essential to ensure that the system’s
ability to fulfill the system’s requirements related to accountability, accessibility,
and adaptability are achieved. The system is composed of toolboxes related to
decision support, model management, and data management. The functionality of
the data management toolbox requires a reliable and flexible capability to for
distributed data management. The project described herein was to evaluate the
utility of the Python programming language to develop tools for a wide range
of platforms that can perform the "just in time" data access and filtering.
Kinetic Studies of Ammonia Borane. STEPHEN
BERDS (Monroe Community
College, Rochester, NY, 14623) WENDY SHAW (Pacific Northwest National Laboratory, Richland, WA, 99352)
The need for effective
hydrogen fuel cells (HFCs) is paramount to the success of establishing a stable
energy economy based on hydrogen. At the heart of a productive HFC lies a system
for efficiently storing and releasing hydrogen in a controlled fashion. One
promising method for such a system is to use chemicals to store hydrogen. Ammonia
borane, NH3BH3 (AB) is both stable at room temperature and, with modest heating,
able to generate hydrogen (H2) with an H2 to AB ratio of greater than 2:1. To better understand the effect
which temperature has on the release of H2 from AB, a gas burette system was employed to measure the amount
of H2 released
from AB at set temperatures over time. AB was also loaded on MCM-41, a mesoporous
scaffold, in several different mass ratios with AB to study its effect on H2 release.
It was found that the induction period which exists to release one mass equivalent
of H2 is directly dependent on the reaction temperature. The second
mass equivalent of H2 which is released does not have a separate induction period
and is generated at only slightly higher temperatures than the first equivalent.
The addition of MCM-41 both increased the rate of hydrogen release and eliminated
the induction period for the release of the first equivalent of H2. This research is part of a larger study being conducted by
the Department of Energy’s Chemical Hydrogen Storage Center for Excellence
to
fully characterize the mechanism and kinetics of H2 release from AB. This work was supported by the Office of Energy
Efficiency and Renewable Energy of the Department of Energy.
Large Scale Production, Purification, and 65Cu Solid
State NMR of Azurin. AMY GAO (Olin College of Engineering, Needham, MA, 2492) ROBERT HECK (Pacific Northwest National Laboratory, Richland, WA, 99352)
This paper details a way
to produce azurin with an efficiency over 10 times greater than previously described
and
demonstrates the first solid state nuclear magnetic
resonance spectrum of 65Cu(I)
in a metalloprotein (Harris et al., 2004). A synthetic gene for azurin based
upon the DNA sequence from P.
aeruginosa including the periplasmic targeting sequence was subcloned into
a T7 overexpression vector to create the plasmid pGS-azurin, which was transformed
into BL21 (DE3) competent cells. The leader sequence on the expressed protein
causes it to be exported to the periplasmic space of Escherichia coli.
Bacteria grown in a fermentation unit were induced to overexpress the azurin,
which was subsequently purified through an endosmotic shock procedure followed
by high performance liquid chromatography (HPLC). 1480 mg of azurin were purified
per liter of culture. 65Cu(II) was added to apo-azurin and then reduced. The 65Cu metal cofactor in azurin was observed with solid state nuclear
magnetic resonance (NMR) to determine any structural variations that accompanied
copper reduction. This is the first ever solid state NMR spectra of a copper(I)
metalloprotein. Analysis of the NMR spectra is being used to complement hypotheses
set forth by x-ray diffraction and computational calculations of electron transfer
mechanisms in azurin.
Metabolism of Dibromoacetic Acid and Bromochloroacetic
Acid by Rat Liver Cytosol. ANNA
BEILER (Messiah College, Grantham, PA, 17027) IRVIN SCHULTZ (Pacific Northwest National Laboratory, Richland, WA, 99352)
Di-halogenated acetic acids
(di-HAAs) are common by-products of municipal disinfection of drinking water
and are known rodent hepatocarcinogens. Concern has been voiced by environmental
and regulatory agencies about their effects in humans. In this study, the in
vitro metabolism of two di-HAAs, dibromoacetic acid (DBAA) and bromochloroacetic
acid (BCAA), was measured. The kinetics of DBAA and BCAA metabolism was studied
in young male and female rat liver cytosol. The metabolism was characterized
by both consumption of added substrate and formation of the initial metabolite,
glyoxylate, after
1-30 minutes incubation at 37° C. Both the di-HAAs and glyoxylate were quantified
by conversion to their respective methyl esters and subsequent analysis by gas
chromatography- mass spectroscopy (GC-MS). BCAA is a chiral compound and its
stereoisomers were analyzed using a chiral column on a GC-electron capture detector
(GC-ECD). Due to technical difficulties with methylation of glyoxylate and analysis
by GC-MS, conclusive data for the DBAA experiment was not found. In the BCAA
incubations, the (-) BCAA stereoisomer was consumed so rapidly it was impossible
to obtain a conclusive rate of metabolism. Further studies should repeat the
experiment at a slower rate. Also, the method should be further developed to
work more accurately on the brominated haloacids. In addition, future studies
can explore the kinetics of remaining di- and tri- halogenated acids, and apply
the findings to the effects on humans at the concentrations found in drinking
water.
Optimal Mixed-Acid Digestion Procedures for Sediment
and Tissue Using a Hot Block Heating System. JULIA
PETERSEN (Western Washington University, Bellingham, WA, 98225) GARY
GILL (Pacific Northwest National Laboratory, Richland, WA, 99352)
Investigations were conducted
to optimize mixed-acid digestion procedures for sediments and tissues using a
hot block heating system with disposable vials. This method is more cost efficient
and less labor intensive than digestion methods using high pressure heating in
sealed Teflon vessels. A series of digestions were conducted using varying procedures
on several Standard Reference Materials (SRMs). The acid mixtures employed included,
aqua regia (3:1 nitric: hydrochloric acid), aqua regia plus hydrogen peroxide
and several combinations of hydrochloric/ nitric/ hydroflouric/ boric acid patterned
after the procedures used at Texas
A&M University (TAMU) and for the National Status and Trends Program (National
Oceanic and Atmospheric Association). The digestates were analyzed by Inductively
Coupled Plasma- Optical Emission Spectrometry and percent recoveries were calculated
from certified and reference values. Very few elements (Cu, Ag, and Cd) had acceptable
recoveries (>90%) for the aqua regia and the aqua regia plus hydrogen peroxide
digestion of sediments. The TAMU digestions showed an overall increased recovery
of 7% for a collective group of 15 elements (Al, As, Ba, Be, Ca, Cu, Fe, K, Mg,
Mn, Mo, Na, Sr, V and Zn) when the procedure included a heating step after boric
acid was added. Recoveries were >90% for the National Status and Trends procedures
for the group of 15 elements which proved to be most comprehensive sediment method.
This digestion included 2 mL HNO3,
3 mL HCl, 2 mL HF, and 15 mL 5% boric acid with a heating step after HCl, HF
and boric acid were added. For the tissue digestions, the best recoveries were
observed when the sample was allowed to sit overnight with only nitric acid added
at room temperature before initiating a heated mixed-acid (2 mL HNO3,
3 mL HCl, and 2 mL of H2O2) digestion procedure the
following day. Recoveries >90% were observed for the elements Ag, Ca, Cu,
Fe, K, Mg, Mn, Na, Ni, Sr, and Zn. Further work could include the use of an Inductively
Coupled Plasma- Mass Spectrometer to monitor additional elements as well as studying
matrix effects on the difficulty
of digestion.
Optimization of a Batchwise Immobilized Metal Affinity Chromatography Protocol. DAVID KONOPKA (Kalamazoo College, Kalamazoo, MI, 49006) FENG YANG (Pacific Northwest National Laboratory, Richland, WA, 99352)
Phosphorylation plays a significant
role in regulating metabolic activities in the cell. However, samples of phosphopeptides
must first be enriched prior to analysis by mass spectrometry, primarily due
to the very low concentration of proteins that are phosphorylated at any given
time. Immobilized metal (Fe3+) affinity chromatography (IMAC) is, at present, the most promising
method available. Unfortunately, the current, column-based technique is relatively
slow and does not have a high throughput capacity. Development of a batchwise
IMAC protocol would resolve these shortcomings. A mixture of tryptically digested
beta-casein, a common phosphoprotein, and a phosphopeptide standard was used
to test the batchwise IMAC protocol with various wash and elution buffers. Tryptic
digestion of protein samples extracted from normal human dermal fibroblasts was
also used to test the protocols. The number/signal of identified phosphopeptides
from both experiments will be used to select the optimized protocol. Due to time
constraints and a backlog of samples to be run on the mass spectrometer, no data
has yet been obtained from this project.
Physical and Chemical Properties of Polyol-Based Deicing
Solutions. SARINA DORAZIO (Genesee Community
College, Batavia, NY, 14020) WILLIAM D. SAMUELS (Pacific Northwest National Laboratory, Richland, WA, 99352)
The U.S. Environmental
Protection Agency (EPA) regulations require an alternative for the environmentally
toxic propylene glycol (PG) and organic salt based deicers currently used in
the United States at an estimated 35 million kg annually. New Battelle derived
polyol-based deicing solutions are a more environmentally friendly, materials
friendly, and cost effective alternative to PG or organic salt based deicers
for airplanes and runways. The
polyol-based solutions produced are D3: Degradable by Design Deicers, which include both Airplane Deicing
Fluid (ADF) and Runway Deicing Fluid (RDF). These solutions meet the criteria
put forth by different U.S. regulatory agencies such as the Federal Aviation
Administration (FAA), EPA, and Department of Defense (DoD). Quick, reliable and
simple testing parameters are critical to the eventual use of these solutions.
Due to these constraints, a number of measurements were performed between June
and August 2007 on various dilutions of the certified ADF and RDF solutions in
order to define certain characteristics: refractive index, pH, density, and freezing
point. A freezing point apparatus was used which was assembled to meet American
Society for Testing and Materials (ASTM) specifications. Freezing points and
other physical tests were run on diluted certifiable fluids and the data was
correlated to identify the tests that will best predict the composition and efficacy
of the fluid. Various cooled solutions were investigated with respect to their
ability to transfer heat both quickly and efficiently in the freezing point apparatus.
Planning for the Future: Updating Energy Forecasting
Techniques. CATHERINE SAMPSON (Western Washington University, Bellingham, WA, 98225) TODD SAMUEL (Pacific Northwest National Laboratory, Richland, WA, 99352)
Every year the Energy
Information Administration publishes a document known as the Annual Energy
Outlook (AEO), which provides analysis and forecasts of world energy markets
through the year 2025. The results of this publication are used in the decision
making processes of policy makers and public and private investors alike,
and are the most comprehensive energy forecasts currently available. However,
the National Energy Modeling System (NEMS), the program used to produce these
forecasts, is riddled with minor flaws that may have major impacts on the
applications of the AEO results. Though built using a detailed, modular structure,
NEMS can only be run deterministically on a scenario by scenario basis. Further,
NEMS models display an asymmetric loss function, making the results ambiguous
to users whose loss function is not identical to
that of modelers’. That is why the Department of Energy and the National Renewable
Energy Laboratory are commissioning a new model for forecasting energy use. Known
as the Stochastic Energy Deployment System (SEDS), this model will improve on
current energy modeling mechanisms by providing for full probabilistic treatment
of uncertainties. SEDS is in development under experts from several national
laboratories, and will be designed on Analytica, a commercially available software
package offering a user-friendly format. Hopefully, SEDS will be able to provide
forecasts with better representations of the various possible futures of energy
markets than are currently available.
Post-Breeding Dispersal and Terrestrial Habitat Use
by Woodhouse’s Toad (Bufo woodhousii) on the Hanford Reach National Monument. SHANNON
BLACKBURN (Western Washington University, Bellingham, WA, 98225)
JAMES BECKER (Pacific Northwest National Laboratory, Richland, WA, 99352)
Anurans serve as key biological
indicators of environmental health due to their use of both terrestrial and
aquatic habitats and permeable skin. However, knowledge regarding terrestrial
habitat use is relatively unknown. The purpose of this study was to evaluate
the post-breeding dispersal, aestivation locations, and identify terrestrial
habitat use of Woodhouse’s toads (Bufo woodhousii) at the Hanford Reach National
Monument. We used radio-telemetry to track the movements
of thirty-two Woodhouse’s toads from July 13th-August 20th, 2007 at two pools
after cessation of most breeding activity. We found that during late-breeding
season and summer aestivation, adult Woodhouse’s toads utilize a variety of different
environments; temporary and permanent pools, wetlands, and dry upland areas up
to 1.12 km away from the breeding site. The observed mean distance, the sum of
linear movements between locations, was 479m and toad movement was not significantly
correlated with snout-vent-length (R2=0.0588). The toads were observed burying
in fine sand, silts, and clays in exposed areas, underneath vegetation litter,
and in small animal burrows. Woodhouse’s toads had significantly shorter movements
at the pool with a dense community of tall grasses than at the pool with a drier,
anthropogenic-modified habitat.
Post Occupancy Evaluation Review of Six Sustainably-Designed Buildings. ANNA PASSERNIG (University of California, San Diego,
La Jolla, CA, 92093) KIM FOWLER (Pacific Northwest National Laboratory,
Richland, WA, 99352)
Post occupancy evaluations
(POEs) are used to measure the impact of a building compared to a baseline. This
report analyzes POE energy and water data for six sustainably-designed government
buildings compared to design expectations, and industry standards for energy
and water use. A considerable amount of literature is available focused on the
design and
construction of "sustainably-designed" buildings. With hundreds of
buildings in operation and thousands of buildings pursuing sustainable design
strategies, investors want to know how well these buildings perform. Sustainable
design is integrated design balancing the impacts on cost, the environment, and
the occupants. Integrated design incorporates resource-efficient construction,
renovation, operation, maintenance, and demolition. Currently, it is assumed
that if a building meets the sustainable design standards, that it will be a "better" building
than a "typically" designed building. POE studies offer an opportunity
to analyze the performance of these buildings. Although the sample size for this
study was limited, it was observed that the sustainably-designed buildings were
performing better than "typical" buildings in many cases, and some
performed even better than expected. There are many extenuating factors impacting
building operations and these factors need to be investigated further before
definitive statements can be made. However, with the awareness of the magnitude
of impact that buildings have on the environment, designing, constructing, and
operating sustainable buildings has the potential of significantly lessening
the anthropomorphic environmental impact.
Relative Quantitation using Real-time Polymerase Chain Reaction Techniques
(RT-PCR) to Compare Expression Levels of Genes Relevant to Pellet Formation
in Aspergillus niger. TORRI RINKER (Oregon State University, Corvallis, OR, 97330)
SCOTT BAKER (Pacific Northwest National Laboratory, Richland, WA, 99352)
Filamentous fungi have the potential
to be used in industry for the conversion of complex biomass into useful products
and alternate fuel sources. Aspergillus
niger is
highly efficient at producing citric acid from glucose. Due to its high productivity
and the ability to control the morphological changes needed to reach most efficient
production, citric acid production in A.
niger serves as
a model bioprocess for other filamentous
fungi. In citric acid producing conditions, A.
niger takes on a distinct pelleted morphology. Chitin, a polysaccharide
found in the cell wall of fungi, is thought to contribute to this unique growth
because of its involvement in cell wall generation. In this study, nine different
chitin synthase genes along with other genes involved in pellet formation were
studied in A.
niger using Real-Time
Polymerase Chain Reaction (RT-PCR). Gene expression levels in the citric acid
producing strain ATCC 11414 were measured in 4 different types of media. Comparative
assays were also performed on a modified strain of ATCC 11414 containing a deletion
of a chitin synthase gene (csmA). Relative quantitation of the RT-PCR data showed that three
chitin synthases, csmA, csmB, and csmC were expressed at higher levels in citric
acid producing conditions, while csmD and csmH were expressed at lower levels.
Chitin synthase genes with a both myosin motor-like and cytochrome B5 domains
had lower expression levels under minimal medium growth conditions than in citric
acid production media. These data may indicate that such domains are important
for cell wall formation in pelleted cells. Because cell wall formation is an
important aspect of pelleted morphology, targeting genes that synthesize chitin,
an integral component of the fungal cell wall, is an approach that may aid in
obtaining pelleted morphology. From this study, it was concluded that csmA, csmB,
csmC, csmD and csmH were significant contributors to pelleted morphology and
will be further studied through gene deletion.
Sample Preparation for Proteomic Studies on the Adaptive Evolution of Escherichia
coli. ANGELA ZHANG (University
of Washington, Seattle, WA, 98195) KIM HIXSON (Pacific Northwest National Laboratory, Richland, WA, 99352)
Extensive research has been
conducted on the bacterial evolution of Escherichia coli (E. coli) using comparative
genomics,
yet little research on microbial evolution has been done using the technology
of proteomics. Recent findings have documented that mutations in the coding regions
of E. coli may allow certain strains of the bacteria to improve their growth
phenotype in initially unfavorable substrates. The intent of this project was
to identify the amino acid changes that correspond with genomic mutations evoked
in E. coli grown with glycerol or lactate as the carbon source by high throughput
proteomic methods. In order for E. coli cell samples to be analyzed on the mass
spectrometer, the cells were lysed with the Barocycler NEP 3229 to extract the
proteins present. Then, the lysed E. coli cells were reduced and denatured with
bond-breaker tris(2-carboxyethyl)phosphine and guanidine HCl, digested with trypsin,
and alkylated with iodoacetamide. The digestion converted the proteins to peptides
which were then cleaned up using C-18 Solid Phase Extraction columns. A Coomassie
Blue Assay was used to measure protein concentration before digestion and peptide
concentration was determined by a Bicinchoninic Acid Assay after C-18 clean-up.
Samples were pooled into four groups according to growth substrate and injected
into a strong cation exchange column (SCX) which fractionated the sample into
twenty-five fractions. Each of these fractions which represent a less complex
mixture will then be analyzed by a reversed phase C-18 column coupled to an ion
trap mass spectrometer used to detect and identify the peptides. Due to time
constraints, however, mass spectrometric analysis will not occur until after
the conclusion of this internship. All identifications will go into a reference
peptide database/library and the results will be compared with mutations identified
by previous genomic studies. If mutations are translated into proteins, mass
spectrometry can then be used to identify the various strains of E. coli, drastically
reducing both time and money. Future work may include preparing strains of E.
coli grown on substrates other than glycerol and lactate
for proteomic analyses.
Seagrass Change Associated with Land Use Trends in the Gulf of Mexico: A Historical Analysis. EMILY
STEFANSSON (Everett Community
College, Everett, WA, 98201) RON THOM (Pacific Northwest National Laboratory, Richland, WA, 99352)
Seagrasses and other types
of submerged aquatic vegetation (SAV) play an essential role in coastal ecosystems.
By providing
habitat to juvenile organisms, including a variety of endangered and commercially
important species, seagrass beds are both ecologically and economically valuable.
Over the past century, the health and coverage of seagrasses has declined significantly.
In the Gulf of Mexico, many estuaries have lost up to 100 percent of their seagrasses
within the last fifty years. While dredging, propeller scarring, over-water structures,
and other forms of nearshore development have been listed as causes of seagrass
loss, land use changes in the upper watershed must also be considered. Changes
in watershed conditions can degrade water quality (e.g., light penetration, nutrients,
temperature, salinity) in estuaries harboring SAV, which can in turn affect the
ability of SAV to survive and spread. The purpose of this study was to investigate
historical correlations between seagrass change and land use trends in the Gulf
of Mexico, in an attempt to better understand seagrass declines in the area.
Four bays within the Gulf were chosen for this analysis: Tampa Bay, Charlotte
Harbor, Perdido Bay, and Galveston Bay. County-level data for each watershed
was collected from the U.S. Census Bureau, U.S. Forest Service, and U.S. Department
of Agriculture, concerning farmland, urban, and forest acreages in the 1900s.
These data were then compared to trends in seagrass coverage, taken from existing
literature and historical navigation charts dating back to the early 1900s. Overall
trends showed a peak in agricultural land area during the 1950s, dramatic deforestation
in the mid-1900s, and large increases in population and housing units throughout
the 1900s. These major land conversions correlate with the largest seagrass losses
between 1940 and the early 1980s. This may be related to increased turbidity,
caused by nutrient-rich agricultural runoff and increased impervious surfaces
accompanying development. As resource managers and policy makers look to restore
seagrasses and the delicate ecosystems they support, an understanding of all
potential stressors on key factors controlling seagrass growth is critical. Therefore
these correlations provide the basis for planning and implementing future restoration
and conservation efforts.
Sediment Depth Measurement Using Conventional Ultrasound Techniques in Support
of Scaled Mixing Tests Related to the Hanford Site Waste Treatment
Plant. ABBY HEIEREN (University
of Idaho, Moscow, ID, 83544) RICHARD PAPPAS (Pacific Northwest National Laboratory, Richland, WA, 99352)
The Waste Treatment Plant
(WTP) model has proposed mixing waste in tanks using pulse-jet mixers. To
help determine mixing effectiveness of the design, two ultrasonic techniques
were proposed: the Ultrasonic Doppler Velocimeter (UDV) and conventional
ultrasonic pulse-echo techniques. The UDV device is designed to quantify
the motion of particles suspended in fluids. The classic pulse-echo method
determines position of stationary boundaries based on reflections due to
acoustic impedance mismatches. The applicability of an ultrasound-based monitoring
system to ascertain the presence of particle build-up on the bottom of pulse-jet
mixing (PJM) tanks required further proof-of-concept through quantitative
investigations. To establish the applicability of the pulse-echo method,
a 2.25 MHz transducer with a plastic-matched wearplate was mounted on an
acrylic, 16-in diameter, hemispherical bowl with 3.175 mm wall thickness
with 25.4 mm acrylic standoff. Sound velocity through acrylic and water could
be determined using partial sound reflections before collecting the following
particle data:
2.68 mm/µs and 1.48 mm/µs respectively.
Glass beads of diameter 60-80 µm, 150-212 µm, and 600-850 µm were then added
to the water individually, retrieved, and combined, to simulate mixing process
parameters, while approximating sediment depth and measuring time-of-flight.
If the transducer was able to determine the layer of particles, the oscilloscope
would show a static-dynamic interface, which could be verified by perturbing
the sediment surface. Surface perturbation was not observed using the 2.25 MHz
transducer with 600-850 µm bead size. Lower frequency transducers were tested,
and a 1.0 MHz transducer was then introduced to achieve improved penetration
while maintaining suitable sensitivity. The velocity of sound through each type
of particle and combination were approximated to determine sediment depth within
the bench-top simulation. Analyzed data represented accuracy and applicability
of the conventional method for monitoring the PJM tanks. The ultrasound monitoring
system (the UDV approach coupled with conventional ultrasonic methods) was determined
to be suitable for this application in a bench-top scenario. If the ultrasound
monitoring system is determined viable for the WTP project, future developments
will incorporate performance features that are responsive to PJM test requirements.
PNNL-SA-56618
Separation of Lanthanide Ions with Kläui Ligand Resin. TRINITY GRANGER and VICTORIA HENRY (University of
the Virgin Islands, St. Thomas, VI, 851) GREGG
LUMETTA (Pacific Northwest National Laboratory, Richland, WA, 99352)
Separation and pre-concentration
of the desired analyte is often a critical step in many radioanalytical methods.
Current procedures for separating and concentrating analytes for detection
are complex, and can be both expensive and time consuming. Therefore, the purpose
of this research is to develop an alternative method of separating lanthanide
ions through the use of an extraction chromatography resin
containing a Kläui ligand salt. This research is a continuation of a concerted
effort to develop new methods of detecting small concentrations of radionuclides
and lanthanides using Kläui ligands. The Kläui ligands, C5Me5Co(OP(OR)2)3- (R=Me,
Et, i-Pr, n-Pr) (LOR-), have unique affinity for lanthanide and actinide ions
in the presence of competing metal ions. The use of 1 wt% NaLOR (R=Et or n-Pr)
adsorbed onto resin support has been shown to extract lanthanide ions from aqueous
nitric acid solutions of different concentrations. In order to further evaluate
the utility of these materials in radiochemical separation, the selectivity of
the resins for the different lanthanide ions was examined by measuring the distribution
coefficients (Kd) for a series of lanthanide over a range of solution conditions.
Based on prior research with actinide ions, it was hypothesized that the lanthanide
ions would bond strongly with the Kläui ligands. The success of this research
is important, because it will assist in expanding and improving current automated
radiochemical methods, which will decrease the cost of developing and implementing
radiochemical methods. To date, Kd values have been determined for Eu+3, Nd+3
and Pr+3 under varying nitric acid (HNO3) concentration, using a resin consisting
of 1.0 wt% NaLOPr on Amberlite XAD-7HP. The dependence of the Kd values for Eu+3
has also been examined as a function of the ligand-to-europium ratio and the
nitrate concentration. Decreasing Kd values were obtained upon increasing the
nitric acid concentration, indicating protonation of the ligand, which competes
with binding of the lanthanide ions. As expected, increasing the Kläui ligand-to-europium
ratio results in increasing Kd, but no conclusions could be made from these data
regarding stoichiometry of the complex formed on the resin. No dependence of
the Kd on the nitrate concentration was observed, supporting the notion that
the HNO3 dependence is dominated by the presence of the acidic hydronium ion
(as opposed to the nitrate ion). Future work will involve the determination of
the Kd values for the remainder of the lanthanide series to further assess the
potential of the Kläui ligand for intra-group lanthanide separations.
Single Component Variation of Low Activity Tank Waste
to Determine Chemical and Physical Behavior on Molten Ionic Salt. SHAELAH EASTERDAY (Gonzaga University, Spokane, WA, 99258) MICHAEL SCHWEIGER (Pacific Northwest National Laboratory, Richland, WA, 99352)
Bulk vitrification is
a process used to safely contain Low Activity Waste (LAW) on the Hanford
Site into a vitreous waste form. This is done by heating the LAW mixed with
glass-forming minerals in a large melting container lined with Castable Refractory
Block (CRB). At temperatures
above 275325°C, sodium nitrate and sodium
nitrite (NO3+NO2)
in the LAW form Molten Ionic Salt (MIS) that penetrates the CRB. When this occurs,
the MIS may be able to leach from the CRB into the environment. Feeds were prepared
by drying a liquid LAW simulant with glass-forming minerals. The LAW composition
was varied, one component at a time. Feeds were placed in silica crucibles of
a similar porosity
as the CRB, and heated to 500°C at 5°C/minute and held for 30 minutes. The feed
was removed, and the crucibles were heated from 650°C to 1000°C at 7°C/minute
and held at 1000°C for 60 minutes. To determine MIS penetration, the crucibles
were weighed before and after each heat treatment. It was found that by replacing
NO3+NO2 with any component, but sulfate, MIS migration decreased. Replacing
NO3+NO2 with
sulfate had no effect on MIS migration. Acetate and chromate decreased MIS migration
more than other components. This project provides important data for the Bulk
Vitrification of LAW on the Hanford Site by allowing to asses the response of
MIS migration in
melter feeds to composition variations of the waste.
Slag Penetration in Coal Gasifier Refractories. BRENT
HICKS (Brigham Young University, Provo, UT, 84604)
S.K. SUNDARAM (Pacific Northwest National Laboratory, Richland, WA, 99352)
Coal gasification is a process
used to convert coal in the presence of water, elevated temperature, high pressure,
and a reducing atmosphere into high-value chemicals and fuels. A gasifier refractory
lining protects the stainless steel shell of the gasifier from elevated temperatures
and corrosive coal slag. Refractories
composed primarily of Cr2O3 have
been found the most resistant to slag corrosion, but they still fail to meet
their targeted operational lifetime of three years. Experimental data on the
slag-refractory interaction is necessary to develop models to 1) identify critical
conditions at which refractory corrosion sharply increases 2) predict the service
life of a gasifier refractory, and 3) discover processes/techniques to protect
the refractories for extended life. Laboratory tests were conducted to determine
the penetration depth of three slags representative of a wide variety of coals
in the United States into five high-chrome refractories. The slags were pressed
into pellets, placed inside a core-drilled refractory sample, and heat-treated
in a controlled atmosphere furnace. Variables tested were refractory-slag combinations,
different maximum
temperatures and partial pressures of O2, and thermal cycling between temperature extremes found in commercial
gasifiers. Slag penetration depths were measured from spliced optical images
of each refractory. Samples heated to 1470°C for 2 hrs had average penetration
depths ranging from 1.99±0.15 mm to approximately 27 mm; compare to 1.53±0.26
mm to 8.47±0.34 mm for samples heat-treated at 1310°C for 2 hrs and 8.55±0.55
mm to approximately 26.2 mm for samples thermally cycled three times between
1150°C and 1550°C. AUREX 95P, a high-chrome refractory containing 3.3wt% P2O5, showed the least slag penetration of all studied conditions.
P2O5 likely
reacts with the slags to increase their viscosity and restrict molten slag penetration.
Results indicate that lower temperatures correspond to less slag penetration;
the slag
is less fluid at 1310°C than at 1470°C. Scanning electron microscopy will be
used to verify slag penetration depths for AUREX 95P because it was difficult
to distinguish slag from P2O5 with optical microscopy.
Stratigraphic Control on CCl4 and CHCl3 Concentrations. KELSEY WINSOR (Smith College, Northampton, MA,
1063) GEORGE V. LAST (Pacific Northwest National Laboratory, Richland, WA, 99352)
An extensive subsurface
contaminant
plume of carbon tetrachloride (CCl4) is the focus of a remedial effort in the 200 West Area of Washington
State’s Hanford Site. Remediation requires a high-resolution model of the region’s
spatially variable lithofacies and of the effect these units have on CCl4 migration
through the unconfined aquifer. To increase detail of previous models, a transect
was chosen along the primary groundwater flow path in the most heavily contaminated
area. Borehole logs of wells along this 3.7 km-long transect were systematized
and used to create a cross section displaying lithofacies depth and continuity.
Natural and spectral gamma geophysical logs were examined to pinpoint the depths
of geologic units. Depth discrete concentrations of CCl4 and its reductive dechlorination product, chloroform (CHCl3),
were overlain on this cross section. Comparison of stratigraphy to contaminant
levels shows that peaks
in CCl4 concentration
occur in thin, fine-grained layers and that other fine-grained layers frequently
form lower boundaries to regions of high concentration. Peaks in CCl4 concentrations
are frequently located at different depths from those of CHCl3,
suggesting that these
concentrations are affected by dechlorination of CCl4. Transformation of CCl4 to CHCl3 appears to be more prevalent within reduced, iron-containing
sediments. Influence of thin, fine-grained layers within the larger aquifer unit
indicates that characterization of contamination in this locality should consider
subsurface geology with at least as much resolution as provided in this study.
Study of Chloride Mass Balance Preparations. CHASE BOVAIRD (George Washington
University, Washington, DC, 20052) JEFF SERNE (Pacific Northwest National Laboratory, Richland, WA, 99352)
Chloride Mass Balance (CMB)
is an inexpensive and effective way to estimate groundwater recharge in arid
or semi-arid environments. CMB analysis is important to the Hanford Site in its
ongoing environmental cleanup efforts, in that estimation of contaminant flow
is important to regulators. Past studies have resulted in data that show an increase
in chloride concentration when 1:1 water extracts are prepared by oven drying
or when the water is allowed a prolonged contact time with the sediment. Using
1:1 water extract method with air dried and oven dried sediments, chloride analyses
were performed with an ion-chromatograph mass spectrometer (IC-MS). Analysis
with IC-MS was also performed on 1:1 sediment-water extracts after contact times
of 1, 3, and 7 days. Expected results, commensurate with assumptions made in
CMB analysis should show neither chloride loss from porewater from oven drying
sediment nor an increase. Further, there should be no increase or decrease in
chloride concentration in the water extracts with increasing contact time. This
project is part of a larger work on CMB and should help in standardizing/optimizing
the procedure. Preliminary results show that there are several complications
in steps used to obtain the water extract and in the analysis of chloride that
are making the application of CMB problematical for Hanford environments where
recharge rates are larger than a few mm/yr. Further, the Hanford sediments may
be a source or readily leachable chloride during the water extract process that
is not present in the actual porewater
Synthesis of leucite nanocrystals through glass hydration
and sol-gel method. ELISA SANCHEZ (San
Antonio Community College, San Antonio, TX, 78247) PAVEL HRMA (Pacific
Northwest National Laboratory, Richland, WA, 99352)
Leucite (KAlSi2O6), a potassium
alumino-silicate, has been widely used as a principal component in porcelain-fused-to-metal
restorations to match the thermal expansion coefficient (CTE) of dental porcelain
with the CTE of the metal. The combination of porcelain and metal creates a strong
and durable restoration that is highly biocompatible and wear-resistant but lacks
the natural translucency of enamel. The low strength and fracture toughness of
natural looking all-ceramic restorations have restricted their widespread use
in aesthetic dentistry. The introduction of nanoleucite porcelain might make
the all-ceramic restorations possible. It was found that the fracture toughness
and flexural strength of the leucite porcelain can be significantly increased
by controlling the amount, particle size, and distribution of the leucite crystals
in the porcelain matrix. The objective of this study was to synthesize nanocrystals
of leucite via glass hydration and sol-gel method where the silica sol was mixed
either with potassium aluminate for a basic synthesis or with potassium nitrate
and aluminum nitrate for an acidic synthesis. The synthesized powders were analyzed
with X-ray diffraction (XRD) to determine the concentration of leucite, and with
scanning electron microscopy and energy dispersive spectroscopy (SEM-EDS) to
determine the crystal size of leucite. Differential thermal analyses and thermogravimetric
analyses were used to study the phase changes in amorphous gels leading to the
formation of leucite. Preliminary results of XRD analyses of the glass hydration
samples show crystal formation. The concentration of leucite increases with temperature,
time, and added volume of water. Average crystal size as determined by SEM was
approximately
1 µm. At the time of this report, sol-gel data collection is ongoing, but nearing
completion. Preliminary results of this study suggest a promising trend toward
synthesis of nano-sized particles of leucite using both tested methods.
Synthesis of Silicon and Gold Nanoparticles. ROBERT
BROWN, ERIC CONTE and MORGAN MCGRAY (Western Kentucky University, Bowling Green, KY, 42103)
MARVIN G. WARNER (Pacific Northwest National Laboratory, Richland, WA, 99352)
Gold and silicon nanoparticles
have been widely used for their unique characteristics for various applications.
By attempting to replicate other researchers work, these syntheses were explored
and expanded upon. Using sodium naphthalide in 1,2-dimethoxyethane as a reducing
agent, adding silicon tetrachloride, and finally capping with octanol gives octanol-capped
silicon nanoparticles. Gold nanoparticles can be synthesized through the use
of hydrogen tetrachloroaurate(III) hydrate, toluene, and tetraoctylammonium bromide.
With the addition of triphenylphosphine, the gold particles can be stabilized.
In addition, ligand exchange reactions can be carried out with 4-trifluoromethyl-benzenethiol
to produce nanoparticles with varying functionalities. It is evident that the
gold nanoparticles are more easily produced and more stable then their silicon
counterparts. Although we were not able to test the purity of our gold particles
with 1H NMR, thin layer chromatography (TLC) showed high purity. The silicon
nanoparticles were found to aggregate and were different than what was anticipated
based on the reported
literature preparation.
Terahertz Spectroscopy of Chalcogenide Glasses. JEFFREY NEUMANN (University of Michigan, Ann Arbor,
MI, 48104) S.K. SUNDARAM (Pacific Northwest National Laboratory, Richland,
WA, 99352)
Chalcogenide glasses are
well known for having technologically significant optical properties such as
high transparency in the infrared regime (some being transparent in the visible
region), non-linear optical properties, semiconducting properties, and photomodifiable
properties which make them attractive for applications in chemical and remote
sensing. However, their properties in the terahertz (THz) regime are not reported
in the literature. With the recent advances in the area of THz imaging and
spectroscopy, advanced tools are now available to characterize this family
of materials. Selected chalcogenide glasses were characterized using a THz
spectrometer that covers a frequency range of 172 - 265 GHz and the data is
presented here. Using a terahertz wave generator, terahertz waves were transmitted
through a sample and then detected on the other side. Each sample produced
a unique output displaying the magnitude of transmission across the frequency
range. Software was used to fit the Fresnel expressions for complex transmission
to the resulting graphs to determine the transmission, refractive index, and
dielectric constants of each sample. The results showed that transmission of
terahertz waves show a marked decrease as the waves move up into a higher frequency
range. This decline is also varied in connection with the refractive index
and whether it
was increasing or decreasing.
Testing of Nanoporous Niobium Thiophosphates for the
Removal of Heavy Metals from Water and Waste Streams. KYLA
GREGOIRE (Florida State University, Tallahassee, FL, 32306)
DAWN WELLMAN, PHD (Pacific Northwest National Laboratory, Richland, WA, 99352)
Current methods of offshore
oil drilling and coal energy production result in waste streams with elevated
levels of toxic metals including mercury, lead and cadmium. The ability to efficiently
remove these metals from production waters would reduce the risk of bioaccumulation
in humans and wildlife. Recent advances in the field of nanotechnology indicate
that nanoporous metals are effective sorbents for removing contaminants from
aqueous solutions. In this investigation we present the development of nanoporous
niobium thiophosphate (NP-NbTPO), and the results of static batch sorption tests
to quantify the ability of nanoporous thiophosphates to sequester mercury, lead
and cadmium from aqueous solutions. Results demonstrate that nanoporous niobium
thiophosphate materials provide a loading capacity of ~700 mg/g for mercury and
Kd values 1.28 x 106 mL/g
for lead and 1.54 x 105 mL/g for cadmium.
The effect of inhibitors of the multi-xenobiotic resistance
protein on domoic acid disposition in Dungeness crabs and Mediterranean
mussels. LAURA ALMAGUER (Gavilan College, Gilroy, CA, 95020)
IRVIN SCHULTZ (Pacific Northwest National Laboratory, Richland, WA, 99352)
Select species of marine algae primarily
belonging to the genus Pseudo-nitzchia produce the toxin domoic acid (DA), making
it a naturally occurring neurotoxin that contaminates shellfish that have fed
on Pseudo-nitzchia. People ingest the neurotoxin by eating contaminated fish
and shellfish; in extreme cases it can even cause death in humans and animals
alike. The contamination of shellfish with domoic acid has caused health and
economic problems world wide. Some species of shellfish retain domoic acid longer
than others and it is not fully understood why. It is hypothesized the multi-xenobiotic
resistance (MXR) protein(s) identified in marine shellfish, functionally similar
to mammalian counterparts p-glycoprotein (pgp) and OAT-1 (organic anion transporters)
are associated with the unusual interspecies differences in domoic acid. To test
this hypothesis both the uptake and excretion of DA was monitored by exposing
one set of mussels with known pgp and OAT-1 inhibitors, verapamil and cyclosporine.
Uptake of DA was determined using static water exposures where verapamil or cyclosporine
injected mussels were placed in 1 L beakers containing soluble DA. Excretion
of DA was studied by reversing this protocol and injecting DA into mussels placed
in seawater containing verapamil. Subsequent experiments with crabs measured
the excretion of injected DA beginning 1 hr after injection with either verapamil
or cyclosporine. Water, hemolymph and digestive gland tissues were then analyzed
for DA using High Performance Liquid Chromatography (HPLC) with either UV or
fluorescence detection. Initial results suggest neither inhibitor altered the
kinetics of DA in mussels and crabs.
The Effect of MnO on the Thermal, Mechanical and Interfacial Reaction of a
SOFC Sealing Glass with Metallic Interconnect Materials. JAMESON
THORNTON (Santa Rosa Junior College, Santa Rosa, CA, 95401) YEONG-SHOUNG
CHOU (Pacific Northwest National Laboratory, Richland, WA, 99352)
This paper will discuss
the effect of MnO on the thermal and mechanical properties of a novel solid
oxide fuel cell (SOFC) sealing glass (YSO77), both in the as-cast and short-crystallized
forms.
MnO has been chosen as a "trapper" due to its potential ability to
react with Cr, a major source for degradation of SOFCs. In the as cast glass,
both the glass transition and softening temperature decreased with increasing
MnO. In the short-crystallized glasses the softening temperature generally decreased
with increasing MnO, and the presence of softening point suggested remaining
glassy phases after short crystallization. The effect of MnO on the coefficient
of thermal expansion (CTE) showed no distinct trend.
Elastic properties of Young’s and shear modulus decreased with increasing MnO
for both the as-cast and short-crystallized glass.. The elastic properties in
the crystallized glasses were generally higher than those of their as cast counterparts.
The density of the glasses decreased with increasing MnO content, and was lower
in the crystallized counterparts when compared to the as cast glasses. The CTE
seemed to fluctuate in both sets of glasses without and logical pattern. These
fluctuations are still not understood and may require further investigation if
the CTE of these glasses becomes a primary concern. But since MnO was chosen
for its chemical interest and not its physical properties for this study these
are not of general concern. The properties of the new glasses are adequate to
be used in further SOFC applications and the glass with 6 mol% MnO will be further
investigated under actual conditions as a sealant.
The effects of nicotine exposure on Cytochrome P450-mediated
metabolism of Chlorpyrifos in Sprague-Dawley rats. JOSH
ELSASSER (California State University, Fresno, Fresno, CA, 93711) CHARLES TIMCHALK (Pacific Northwest National Laboratory, Richland, WA, 99352)
Chlorpyrifos (CPF) is a common organophosphate
insecticide used for pest control. CPF is metabolized to chlorpyrifos-oxon (CPF-Oxon)
and 3,5,6-trichloro-2-pyridinol (TCP). The metabolite of most concern is CPF-Oxon
since it is responsible for acetylcholinesterase (AChE) inhibition. The inhibition
of AChE activity can adversely impact cholinergic function and if severe enough
can result in central and peripheral neurotoxicity. Studies have shown that both
nicotine (smoking) and ethanol (drinking) can induce cytochrome P450s (CYP450),
the enzyme family responsible for the metabolism of CPF. Since the enzymatic
profiles of CYP450 are expected to be altered due to nicotine exposure, this
could modify the metabolism of CPF. Thus, the aims of this study are to characterize
the changes in CYP450 profiles and CPF metabolism associated with nicotine induction.
Rats were dosed subcutaneously (s.c.) with 1 mg of nicotine/kg body weight daily.
Liver microsomes were prepared 4 hr, 24 hr, 7 day, 7 days and 4 hours, and 10
days post-dosing. Total amounts of protein and CYP450s in microsome samples were
determined by spectrophotometry. In vitro metabolism
studies were also conducted to measure the formation of CPF-Oxon and TCP using
gas chromatography/mass spectrometry (GC/MS). CPF was incubated with microsomal
samples in 1 mL of 50
mM HEPES buffer containing, 15 mM MgCl2 and
1 mM EDTA at 37°C and 1 mM NADPH was added to initiate the reaction, which was
terminated after
20 min by the addition of 200 µL of NaCl-saturated 2.5 N acetic acid solution.
Initial analysis of the data did not provide any conclusive evidence to suggest
that nicotine exposure produced substantial changes in either the amount of CYP450
or the amount of metabolites within the microsome samples. Further experimentation
will be needed to identify if a change did occur particularly at the level of
individual CYP450 forms. The results from this study are being used to design
an in vivo pharmacokinetic study for the risk assessment of concurrent
nicotine, ethanol and CPF exposure.
The effects of polymers on the rheology and green
strength of the feedstock in Titanium Injection Molding (TIM). JUAN TERAN (Estrella Mountain Community College, Avondale,
AZ, 85338) KEVIN L. SIMMONS (Pacific Northwest National Laboratory,
Richland, WA, 99352)
When implementing naphthalene
as a patented primary ingredient in our binder system, it is imperative that
we understand and assess the characteristic differences that polymers have
on the torque values and green strength of the overall mixing with titanium
hydride powder. Knowing how to influence the torque values during the initial
mixing between the binder and powder will give us a better chance of molding
a complex geometrical shape, since increasing the powder volume is known
to increase the torque value and decrease the mold capacity of the mix. By
keeping the volume
for all binder constituents’ equal, and changing the chemistry for one of the
constituents, in this case acetamide, low density polyethylene, and polyethylene
glycol, the results of these experiments can provide insight on the effects that
these alternative constituents have on the feedstock’s rheological properties
as well as its green strength. Each individual run was carefully mixed and monitored
in a Haake Rheocord Fisions 90 torque rheometer and their torque values were
recorded in Newton-meters. All mixes were conducted in the same manner and were
allowed to reach their lowest torque value within a forty minute time limit.
Acetamide, when in mixture with stearic acid and naphthalene, produces the lowest
torque and injection molds but does not have enough green strength to be handled
and sintered. The polymer mixtures produced different torque values that were
slightly higher than that of acetamides but can be injection molded nicely with
suitable green strength to pass through the sintering stage. This work was focused
on analyzing the effects that specific polymers have on the feedstock traits,
in anticipation of finding one adequate enough to increase its probability of
entering the fourth stage in the TIM process. The use of polymers in the naptha-based
binder is necessary; they provide key properties to the feedstock that allow
it to pass through the entire TIM operation. Ongoing research and development
continues in the areas of binder development, molding conditions, and proper
heat treatment during the de-binding and sintering phase to improve the overall
success rate in the production of viable parts in the TIM process.
The Integration of Sub-Hourly CALPUFF and its Processors. KATRINA LEE (Big Bend Community College, Moses Lake,
WA, 98837) FREDERICK RUTZ (Pacific Northwest National Laboratory, Richland,
WA, 99352)
CALifornia PUFF model (CALPUFF)
is an Environmental Protection Agency (EPA) approved atmospheric modeling application
used for the simulation of long range dispersion of airborne pollutants. CALPUFF
is currently integrated into DUST TRANsport (DUSTRAN), a graphical dust dispersion
modeling system. Within DUSTRAN, CALPUFF makes use of three preprocessor applications,
a meteorological model, and a postprocessor application. The preprocessors
condition raw topographical data for use in the models. The two models include
a meteorological model named CALifornia METeorological model (CALMET) and the
atmospheric dispersion model CALPUFF. Recent upgrades released for CALPUFF
components provide new support for simulations on a sub-hourly basis. These
upgrades necessitate changes to how data is acquired, processed, and output
at all levels of the CALPUFF integration system. Integration of these new components
is necessary to allow the system to function seamlessly as a single entity,
automating the time consuming and human-error prone process of editing large
amounts of input data while executing each processor in order. An integrated
CALPUFF system may be used as a component of a larger system, such as DUSTRAN,
with minimal input from the user. Integration of the new components is complete
through the pre-processors and the CALMET model, with work still to be done
on CALPUFF and the postprocessor application pending full documentation. This
paper describes the progress, integration methods, and
models for use in DUSTRAN.
The Surface-Mediated Unfolding Kinetics of Globular Proteins is Dependent on
Molecular Weight and Temperature. ALEXANDER
PATANANAN (University of California, Los
Angeles, Los Angeles, CA, 90095)
STEVEN C. GOHEEN (Pacific Northwest National Laboratory, Richland, WA, 99352)
The adsorption and unfolding
pathways of proteins on rigid surfaces are essential in numerous complex processes
associated
with biomedical engineering, nanotechnology, and chromatography. It is now well
accepted that the kinetics of unfolding are characterized by chemical and physical
interactions dependent on protein deformability and structure, as well as environmental
pH, temperature, and surface chemistry. Although this fundamental process has
broad implications in medicine and industry, little is known about the mechanism
because of the atomic lengths and rapid time scales involved. Therefore, the
unfolding kinetics of myoglobin, ß-glucosidase, and ovalbumin were investigated
by adsorbing the globular proteins to non-porous cationic polymer beads. The
protein fractions were adsorbed at different residence times (0, 9, 10, 20, and
30 min) at near-physiological conditions using a gradient elution system similar
to that in high-performance liquid chromatography. The elution profiles and retention
times were obtained by ultraviolet/visible spectrophotometry. A decrease in recovery
was observed with time for almost all proteins and was attributed to irreversible
protein unfolding on the non-porous surfaces. This data, and those of previous
studies, fit a positively increasing linear trend between percent unfolding after
a fixed (9 min) residence time (71.8%, 31.1%,
and 32.1% of myoglobin, ß-glucosidase, and ovalbumin, respectively) and molecular
weight. Of all the proteins examined so far, only myoglobin deviated from this
trend with higher than predicted unfolding rates. Myoglobin also exhibited an
increase in retention time over a wide temperature range (0°C and 55°C, 4.39
min and 5.74 min, respectively) whereas ovalbumin and ß-glucosidase did not.
Further studies using a larger set of proteins are required to better understand
the physiological and physiochemical implications of protein unfolding kinetics.
This study confirms that surface-mediated unfolding can be described by experimental
techniques, thereby allowing for the better elucidation of the relationships
between the structure and function of soluble proteins as well as other macromolecules.
Ultrasonic Evaluation of Bolt Elongation. KYLE JOHNSON (Washington State University, Pullman, WA, 99164)
MORRIS GOOD (Pacific Northwest National Laboratory, Richland, WA, 99352)
The automotive industry has
an interest to improve measurement consistency of clamp load when using threaded
fasteners.
Several early studies were done in support of this effort to acquire ultrasonic
elongation measurements to estimate bolt clamp load for an automotive application.
The first study correlated bolt elongation with measurements obtained with a
7 MHz transducer bonded to the bolt head. The second study placed unfocused immersion
transducers with varying frequency and diameter above the bolt head and empirically
evaluated the pulse-echo signal from the other end of the bolt as a function
of these parameters. A third study looked at a limited variety of coupling materials.
Data showed that bolt elongation correlated well with the change of the ultrasonic
time-of-flight for the case that the transducer was bonded to the bolt head,
that selection of frequency and transducer diameter affected the signal to noise
ratio, and that membranes used in combination with an applied force were capable
of coupling ultrasound between a transducer and a bolt head. Future research
should continue the examination of coupling materials and use this information
to examine measurement stability during the tightening process. This document
contains Battelle-Business Sensitive Information and, since it is transmitted
in advance of patent clearance, is made available in confidence under the protections
of 35 U.S.C. § 205 solely for use in performance of work under contracts with
the U.S. Department of Energy. This document is not to be published nor its contents
otherwise disseminated or used for purposes other than specified above before
patent approval for such release or use has been secured, upon request, from
Intellectual Property Legal Services, Pacific Northwest National Laboratory,
Richland, Washington 99352
Uranium Sorption Kinetics on Synthetic Goethite and Hanford
Fine Sediment. AMY SESSIONS (Northern Arizona University, Flagstaff, AZ, 86001) WOOYONG UM (Pacific Northwest National Laboratory, Richland, WA, 99352)
The Hanford site located in southeastern
Washington State, is among the most contaminated sites in the DOE complex where
at least seven distinct uranium plumes have been identified within the Hanford
site subsurface. The purpose of testing sorption conditions is to determine the
mobil-ity of uranium within the Hanford area natural setting. Desirable rates
for sequestering uranium would favor rapid adsorption rates, and slower desorption
rates. Batch experiments were con-ducted on a Hanford Fine Sediment (HFS) and
synthetic goethite (FeOOH) to determine sorption kinetics. A series of solutions
with varying pH and atmospheric conditions were prepared for desorption tests
to determine the effect of background conditions on the solids ability to sorb
uranium species. ICP-MS analysis quantified the amount of uranium in solution
samples. The goe-thite adsorbed fifty percent more uranium than the HFS. Uranium
sorption and desorption on both solids fit a pseudo second order reaction rates
for adsorption and desorption.
Using Macroinvertebrates as Biological Indicators
of Selenium Contamination at the Monticello
Mill Tailings Site, Utah. BEN
MILLER (Birmingham-Southern College, Birmingham, AL, 35244) ROBIN DURHAM (Pacific Northwest National
Laboratory, Richland, WA, 99352)
Following the removal
of mill tailings at the Monticello Mill Tailings Site (MMTS) in Utah, selenium
has
become a contaminant
of concern, and has the potential to bioaccumulate throughout the food web.
During remediation efforts at the MMTS, all waste, or tailings, remaining
from the milling
process was transported offsite. Mitigation activities after the excavation
of tailings included establishing a series of wetlands along Montezuma Creek.
During
the excavation process, a layer of seleniferous shale was exposed, causing
selenium (Se) to leach into these wetlands. As with any micronutrient, excess
concentrations
of Se are toxic to biological systems. At the MMTS, Se concentrations now exceed
ecological risk guidelines as reported by the U.S. Department of Energy (DOE)
and the U.S. Fish
and Wildlife Service (FWS). Of particular concern are the area’s migratory birds.
Because they are at the highest trophic level, bioaccumulation of Se in their
prey-aquatic macroinvertebrates-is magnified in the birds. Aquatic macroinvertebrates
were collected in May 2007 using kick nets in Wetland 3 and the sediment pond,
two areas at the MMTS shown in past studies to have elevated levels of Se. Hester-Dendy
artificial substrate samplers were also deployed in the sediment pond to obtain
a representative sample of macroinvertebrates. Macroinvertebrates were characterized
based on feeding groups, and then analyzed for total Se using hydride generation
flow injection atomic absorption spectroscopy. The Se accumulated in the macroinvertebrates,
as well as the Se monitored in sediment and water samples, was compared to ecological
risk guidelines. The probable oxidation state of the dominant species of Se was
extrapolated through modeling on The Geochemist’s Workbench 6.0 (GWB). Results
indicate that total Se concentration in macroinvertebrate tissues sampled in
2005 and 2006 exceeds ecological risk guidelines set by FWS. In addition, GWB6.0
modeling suggests that the dominant oxidation state of Se present is selenite,
a particularly mobile inorganic species, making a compelling case for the reassessment
of mitigation strategies at the MMTS. Results for 2007 are forthcoming.
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