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The objective of this research was to combine new experimental measurements on heat capacities, volumes, and association constants of key compounds with theoretical equations of state and with first principles quantum mechanical calculations to generate predictions of thermodynamic data. The resulting thermodynamic data allow quantitative models of geochemical processes at high temperatures and pressures. Research funded by a DOE grant to Prof. Robert Wood at the University of Delaware involved the development of new theoretical equations of state for aqueous solutions of electrolytes and non-electrolytes, methods to estimate thermodynamic data not available from experiments, collection of data on model compounds through experiments and predictions of properties using ab initio quantum mechanics. During the last three and a half years, with support from our DOE grant, 16 papers have been accepted or published, and 3 more are in preparation. Results of this research have been reported in numerous invited and contributed presentations at national and international meetings. For this report, we will briefly comment on the highlights of the last 3 and a half years and give a complete list of papers published, accepted, or submitted during these years.

It is attempted to synthesize hydrogen selective silica-based membranes through a novel thin film deposition concept. This report describes the progress made during the 1st Year of this award. All project Tasks, for Year 1, were completed and the first thin films were prepared and characterized. The goal of this work is to use crystalline layered silicates to form hydrogen selective membranes for use in high temperature hydrogen/carbon dioxide separations. It was proposed to: (A) Synthesize layered silicate materials; (B) Prepare dispersions of as synthesized or delaminated layered silicates; (C) Prepare membranes by coating the layered silicates on macro-mesoporous supports; and (D) Test the membranes for H{sub 2}/CO{sub 2} selectivity at high temperature and pressures and for structural and functional stability at high temperature in the presence of water vapor. All Year 1 project Tasks are completed. Layered silicate particles were synthesized hydrothermally. Crystal shape and size was optimized for the formation of thin films. Calcination procedures that avoid particle agglomeration were developed and suspensions of the calcined silicate particles were prepared. The silicate particles and suspensions were characterized by X-Ray Diffraction, Electron Microscopy and Dynamic Light Scattering. The characterization data indicate that plate like morphology, large aspect ratio and …

Gas storage is a critical element in the natural gas industry. Producers, transmission and distribution companies, marketers, and end users all benefit directly from the load balancing function of storage. The unbundling process has fundamentally changed the way storage is used and valued. As an unbundled service, the value of storage is being recovered at rates that reflect its value. Moreover, the marketplace has differentiated between various types of storage services, and has increasingly rewarded flexibility, safety, and reliability. The size of the natural gas market has increased and is projected to continue to increase towards 30 trillion cubic feet (TCF) over the next 10 to 15 years. Much of this increase is projected to come from electric generation, particularly peaking units. Gas storage, particularly the flexible services that are most suited to electric loads, is critical in meeting the needs of these new markets. In order to address the gas storage needs of the natural gas industry, an industry-driven consortium was created--the Gas Storage Technology Consortium (GSTC). The objective of the GSTC is to provide a means to accomplish industry-driven research and development designed to enhance operational flexibility and deliverability of the Nation's gas storage system, and provide a …

Proton exchange membrane fuel cells (PEMFCs) are quickly becoming attractive alternative energy sources for transportation, stationary power, and small electronics due to the increasing cost and environmental hazards of traditional fossil fuels. Two main classes of PEMFCs include hydrogen/air or hydrogen/oxygen fuel cells and direct methanol fuel cells (DMFCs). The current benchmark membrane for both types of PEMFCs is Nafion, a perfluorinated sulfonated copolymer made by DuPont. Nafion copolymers exhibit good thermal and chemical stability, as well as very high proton conductivity under hydrated conditions at temperatures below 80 degrees C. However, application of these membranes is limited due to their high methanol permeability and loss of conductivity at high temperatures and low relative humidities. These deficiencies have led to the search for improved materials for proton exchange membranes. Potential PEMs should have good thermal, hydrolytic, and oxidative stability, high proton conductivity, selective permeability, and mechanical durability over long periods of time. Poly(arylene ether)s, polyimides, polybenzimidazoles, and polyphenylenes are among the most widely investigated candidates for PEMs. Poly(arylene ether)s are a promising class of proton exchange membranes due to their excellent thermal and chemical stability and high glass transition temperatures. High proton conductivity can be achieved through post-sulfonation of poly(arylene …

Reports results gathered in 2004 from quality and stability surveys in the United States of biodiesel (B100) and 20% biodiesel (B20) in petroleum diesel.

An innovative Ultra-Violet Photocatalytic Oxidation (UVPCO) air cleaning technology employing a semitransparent catalyst coated on a semitransparent polymer substrate was evaluated to determine its effectiveness for treating mixtures of volatile organic compounds (VOCs) representative of indoor environments at low, indoor-relevant concentration levels. The experimental UVPCO contained four 30 by 30-cm honeycomb monoliths irradiated with nine UVA lamps arranged in three banks. A parametric evaluation of the effects of monolith thickness, air flow rate through the device, UV power, and reactant concentrations in inlet air was conducted for the purpose of suggesting design improvements. The UVPCO was challenged with three mixtures of VOCs. A synthetic office mixture contained 27 VOCs commonly measured in office buildings. A building product mixture was created by combining sources including painted wallboard, composite wood products, carpet systems, and vinyl flooring. The third mixture contained formaldehyde and acetaldehyde. Steady state concentrations were produced in a classroom laboratory or a 20-m{sup 3} chamber. Air was drawn through the UVPCO, and single-pass conversion efficiencies were measured from replicate samples collected upstream and downstream of the reactor. Thirteen experiments were conducted in total. In this UVPCO employing a semitransparent monolith design, an increase in monolith thickness is expected to result …

We have developed a new multichannel detector for use in photoelectron spectroscopy (as well as other types of high-count-rate spectroscopy) that will operate at rates of up to 1 GHz. Such detectors are crucial to the full utilization of the high-brightness radiation generated by third-generation synchrotron radiation sources. In addition, new software and hardware has been developed to permit rapidly and accurately scanning photoelectron spectra that will be accumulated in as little as a 200 micros. A versatile next-generation sample goniometer permitting equally rapid scanning of specimen angles or photon energies for angle-resolved photoemission studies, photoelectron diffraction, and photoelectron holography measurements, and cooling to below 10K has also been designed and constructed. These capabilities have been incorporated into a unique photoelectron spectrometer/diffractometer at the Advanced Light Source of the Lawrence Berkeley National Laboratory; this experimental system includes ultrahigh energy resolution, in situ rotation, variable polarization, and optional spin detection. This overall system is now being used in studies of a variety of problems including magnetic metals and oxides; metal/metal, metal/metal oxide, and metal-oxide/metal-oxide multilayers; and systems exhibiting giant and colossal magnetoresistance.

This procedure provides a standard method for measuring and characterizing the long-term energy performance of photovoltaic (PV) systems in buildings and the resulting implications to the building's energy use. The performance metrics determined here may be compared against benchmarks for evaluating system performance and verifying that performance targets have been achieved. Uses may include comparison of performance with the design intent; comparison with other PV systems in buildings; economic analysis of PV systems in buildings; and the establishment of long-term performance records that enable maintenance staff to monitor trends in energy performance.

The high cost of retrofitting buildings with advanced lighting control systems is a barrier to adoption of this energy-saving technology. Wireless technology, however, offers a solution to mounting installation costs since it requires no additional wiring to implement. To demonstrate the feasibility of such a system, a prototype wirelessly-controlled advanced lighting system was designed and built. The system includes the following components: a wirelessly-controllable analog circuit module (ACM), a wirelessly-controllable electronic dimmable ballast, a T8 3-lamp fixture, an environmental multi-sensor, a current transducer, and control software. The ACM, dimmable ballast, multi-sensor, and current transducer were all integrated with SmartMesh{trademark} wireless mesh networking nodes, called motes, enabling wireless communication, sensor monitoring, and actuator control. Each mote-enabled device has a reliable communication path to the SmartMesh Manager, a single board computer that controls network functions and connects the wireless network to a PC running lighting control software. The ACM is capable of locally driving one or more standard 0-10 Volt electronic dimmable ballasts through relay control and a 0-10 Volt controllable output. The mote-integrated electronic dimmable ballast is designed to drive a standard 3-lamp T8 light fixture. The environmental multi-sensor measures occupancy, light level and temperature. The current transducer is used to …

Soil samples were collected at 15 locations and unwashed overstory and understory vegetation samples were collected from up to nine locations within and around the perimeter of Area G, the primary disposal facility for low-level radioactive solid waste at Los Alamos National Laboratory (LANL). Soil and plant samples were also collected from the proposed expansion area west of Area G for the purpose of gaining preoperational baseline data. Soil and plant samples were analyzed for radionuclides that have shown a history of detection in past years; these included {sup 3}H, {sup 238}Pu, {sup 239,240}Pu, {sup 241}Am, {sup 234}U, {sup 235}U, and {sup 238}U for soils and {sup 3}H, {sup 238}Pu, and {sup 239,240}Pu for plants. As in previous years, the highest levels of {sup 3}H in soils and vegetation were detected at the south portion of Area G near the {sup 3}H shafts; whereas, the highest concentrations of the Pu isotopes were detected in the northern and northeastern portions near the pads for transuranic waste. All concentrations of radionuclides in soils and vegetation, however, were still very low (pCi range) and far below LANL screening levels and regulatory standards.

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The future of elementary particle physics in the USA depends in part on the development of new machines such as the International Linear Collider, Muon Collider and Neutrino Factories which can produce particle beams of higher energy, intensity, or particle type than now exists. These beams will enable the continued exploration of the world of elementary particles and interactions. In addition, the associated development of new technologies and machines such as a Muon Ring Cooler is essential. This project was to undertake a feasibility study of a compact gas-filled storage ring for 6D cooling of muon beams. The ultimate goal, in Phase III, was to build, test, and operate a demonstration storage ring. The preferred lattice for the storage ring was determined and dynamic simulations of particles through the lattice were performed. A conceptual design and drawing of the magnets were made and a study of the RF cavity and possible injection/ejection scheme made. Commercial applications for the device were investigated and the writing of the Phase II proposal completed. The research findings conclude that a compact gas-filled storage ring for 6D cooling of muon beams is possible with further research and development.

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The objective of the Waste Package Closure System (WPCS) project is to assist in the disposal of spent nuclear fuel (SNF) and associated high-level wastes (HLW) at the Yucca Mountain site in Nevada. Materials will be transferred from the casks into a waste package (WP), sealed, and placed into the underground facility. The SNF/HLW transfer and closure operations will be performed in an aboveground facility. The objective of the Control System is to bring together major components of the entire WPCS ensuring that unit operations correctly receive, and respond to, commands and requests for data. Integrated control systems will be provided to ensure that all operations can be performed remotely. Maintenance on equipment may be done using hands-on or remote methods, depending on complexity, exposure, and ease of access. Operating parameters and nondestructive examination results will be collected and stored as permanent electronic records. Minor weld repairs must be performed within the closure cell if the welds do not meet the inspection acceptance requirements. Any WP with extensive weld defects that require lids to be removed will be moved to the remediation facility for repair.

In May 2002, the United States Department of Energy (DOE) signed Assistance Instrument Number DE-FC09-02CH11109 with the Medical University of South Carolina (MUSC) to support the Environmental Biosciences Program (EBP). This funding instrument replaces DOE Assistance Instrument Number DE-FC02-98CH10902. EBP is an integrated, multidisciplinary scientific research program, employing a range of research initiatives to identify, study and resolve environmental health risks. These initiatives are consistent with the MUSC role as a comprehensive state-supported health sciences institution and with the nation's need for new and better approaches to the solution of a complex and expansive array of environment-related health problems. The intrinsic capabilities of a comprehensive health sciences institution enable MUSC to be a national resource for the scientific investigation of environmental health issues. EBPs success as a nationally prominent research program is due, in part, to its ability to task-organize scientific expertise from multiple disciplines in addressing these complex problems. Current research projects have focused EBP talent and resources on providing the scientific basis for risk-based standards, risk-based decision making and the accelerated clean-up of widespread environmental hazards. These hazards include trichloroethylene (TCE), polychlorinated biphenyls (PCBs), and low-dose ionizing radiation. A project is also being conducted in the use of …

SpinTek Membrane Systems, Inc., the developer of a centrifugal membrane filtration technology, has engineered and developed a system for use within the U.S. Department of Energy (DOE) Environmental Management (EM) Program. The technology uses supported microporous membranes rotating at high rpm, under pressure, to separate suspended and colloidal solids from liquid streams, yielding a solids-free permeate stream and a highly concentrated solids stream. This is a crosscutting technology that falls under the Efficient Separations and Processing Crosscutting Program, with potential application to tank wastes, contaminated groundwater, landfill leachate, and secondary liquid waste streams from other remediation processes, including decontamination and decommissioning systems. SpinTek II High Shear Rotary Membrane Filtration System is a unique compact crossflow membrane system that has large, demonstrable advantages in performance and cost compared to currently available systems: (1) High fluid shear prevents membrane fouling even with very high solids content; hazardous and radioactive components can be concentrated to the consistency of a pasty slurry without fouling. (2) Induced turbulence and shear across the membrane increases membrane flux by a factor of ten over existing systems and allows operation on fluids not otherwise treatable. (3) Innovative ceramic membrane and mechanical sealing technology eliminates compatibility problems with aggressive …

Field leachate samples are being collected from coal combustion product (CCP) management sites from several geographic locations in the United States to provide broad characterization of major and trace constituents in the leachate. In addition, speciation of arsenic, selenium, chromium, and mercury in the leachates is being determined. Through 2003, 35 samples were collected at 14 sites representing a variety of CCP types, management approaches, and source coals. Samples have been collected from leachate wells, leachate collection systems, drive-point piezometers, lysimeters, the ash/water interface at impoundments, impoundment outfalls and inlets, and seeps. Additional sampling at 23 sites has been conducted in 2004 or is planned for 2005. First-year results suggest distinct differences in the chemical composition of leachate from landfills and impoundments, and from bituminous and subbituminous coals. Concentrations of most constituents were generally higher in landfill leachate than in impoundment leachate. Sulfate, sodium, aluminum, molybdenum, vanadium, cadmium, mercury and selenium concentrations were higher in leachates for ash from subbituminous source coal. Calcium, boron, lithium, strontium, arsenic, antimony, and nickel were higher for ash from bituminous source coal. These variations will be explored in more detail when additional data from the 2004 and 2005 samples become available.

Third-party contact with pipelines (typically caused by contact with a digging or drilling device) can result in mechanical damage to the pipe, in addition to coating damage that can initiate corrosion. Because this type of damage often goes unreported and can lead to eventual catastrophic failure of the pipe, a reliable, cost-effective method is needed for monitoring and reporting third-party contact events. The impressed alternating cycle current (IACC) pipeline monitoring method consists of impressing electrical signals on the pipe by generating a time-varying voltage between the pipe and the soil at periodic locations where pipeline access is available. The signal voltage between the pipe and ground is monitored continuously at receiving stations located some distance away. Third-party contact to the pipe that breaks through the coating changes the signal received at the receiving stations. In this project, the IACC monitoring method is being developed, tested, and demonstrated. Work performed to date includes (1) a technology assessment, (2) development of an IACC model to predict performance and assist with selection of signal operating parameters, (3) investigation of potential interactions with cathodic protection systems, and (4) experimental measurements on operating pipelines. Based on information recently found in published studies, it is believed …

A novel methodology for delineating multiple reservoir domains for the purpose of history matching in a distributed computing environment has been proposed. A fully probabilistic approach to perturb permeability within the delineated zones is implemented. The combination of robust schemes for identifying reservoir zones and distributed computing significantly increase the accuracy and efficiency of the probabilistic approach. The information pertaining to the permeability variations in the reservoir that is contained in dynamic data is calibrated in terms of a deformation parameter rD. This information is merged with the prior geologic information in order to generate permeability models consistent with the observed dynamic data as well as the prior geology. The relationship between dynamic response data and reservoir attributes may vary in different regions of the reservoir due to spatial variations in reservoir attributes, well configuration, flow constrains etc. The probabilistic approach then has to account for multiple r{sub D} values in different regions of the reservoir. In order to delineate reservoir domains that can be characterized with different rD parameters, principal component analysis (PCA) of the Hessian matrix has been done. The Hessian matrix summarizes the sensitivity of the objective function at a given step of the history matching to …

This document constitutes the final report for the grant. It provides a complete list of publications and presentations that arose from the project as well as a brief description of the highlights of the research results. The research funded by this grant has provided insights into the spontaneous formation of structures of increasing complexity in systems driven far from thermodynamic equilibrium. A classic example of such a system is thermally driven convection in a horizontal fluid layer. Highlights of the research are: (1) explanation of the localized traveling wave pulses observed in binary-mixture convection, (2) explanation of the localized waves in electroconvection, (3) introduction of a new diagnostics for spatially and temporally chaotic states, which is based on the statistics of defect trajectories, (4) prediction of complex states in thermally driven convection in rotating systems. Additional contributions provided insight into the localization mechanism for oscillons, the prediction of a new localization mechanism for traveling waves based on a resonant periodic forcing, and an analysis of the stability of quasi-periodic patterns.

Our research program has involved data collection and analysis, modeling building, and the presentation of results. The data collection and analysis work was done in collaboration with our colleagues at the National Bureau of Statistics (NBS) in China. Each summer, we hosted on average four researchers from NBS for 3 months to work with us on the data analysis component of the research. Each summer our NBS colleagues would bring an updated data set of firm-level economic, R&D, and energy data that allowed us to explore the impacts of technological change on firm-level energy consumption. This grant also funded a number of graduate and undergraduate students to work on different elements of the analysis.

Following completion of contracting activities, sites were identified for the field leachate characterization study. Sampling and Analyses Plans (SAPs) and Site Access Agreements (SAAs) were developed for each site. A total of ten sites were sampled during this reporting period. Among the trace constituents, boron, silicon, and strontium were present in highest concentrations, with median values above 1 mg/L (1,000 {micro}g/L). Work on the first of three sites for the detailed arsenic and selenium adsorption studies began in 2002, prior to completion of the final DOE award. Kd values ranged from 100 to 12,000 L/kg for arsenic (V), 15 to 160 L.kg for As(III), and 5 to 25 L/kg for Se(VI).

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