The adiabatic Born-Oppenheimer potential energy surface approximation is not valid for reaction of a wide variety of energetic materials and organic fuels; coupling between electronic states of reacting species plays a key role in determining the selectivity of the chemical reactions induced. This research program initially studies this coupling in (1) selective C-Br bond fission in 1,3- bromoiodopropane, (2) C-S:S-H bond fission branching in CH[sub 3]SH, and (3) competition between bond fission channels and H[sub 2] elimination in CH[sub 3]NH[sub 2].

The adiabatic Born-Oppenheimer potential energy surface approximation is not valid for reaction of a wide variety of energetic materials and organic fuels; coupling between electronic states of reacting species plays a key role in determining the selectivity of the chemical reactions induced. This research program initially studies this coupling in (1) selective C-Br bond fission in 1,3- bromoiodopropane, (2) C-S:S-H bond fission branching in CH{sub 3}SH, and (3) competition between bond fission channels and H{sub 2} elimination in CH{sub 3}NH{sub 2}.

Two factors which have substantial impact on predicted Mercury emissions are the air flows in the Chemical Process Cell (CPC) and the exit temperature of the Formic Acid Vent Condenser (FAVC). The discovery in the IDMS (Integrated DWPF Melter System) of H{sub 2} generation by noble metal catalyzed formic acid decomposition and the resultant required dilution air flow has increased the expected instantaneous CPC air flow by as much as a factor of four. In addition, IDMS has experienced higher than design (10{degrees}C) FAVC exit temperatures during certain portions of the operating cycle. These temperatures were subsequently attributed to the exothermic reaction of NO to NO{sub 2}. Moreover, evaluation of the DWPF FAVC indicated it was undersized and unless modified or replaced, routine exit temperatures would be in excess of design. Purges required for H{sub 2} flammability control and verification of elevated FAVC exit temperatures due to NO{sub x} reactions have lead to significant changes in CPC operating conditions. Accordingly, mercury emissions estimates have been updated based upon the new operating requirements, IDMS experience, and development of an NO{sub x}/FAVC model which predicts FAVC exit temperatures. Using very conservative assumptions and maximum purge rates, the maximum calculated Hg emissions is …

Fully dense, nanocrystalline ceramic articles were prepared by the new nanofabrication process. The process consists of two steps: synthesis of ceramic nanoparticles and fabrication of dense, nanocrystalline ceramic parts. The synthesis step produced 10-nanometer-diameter crystallites, and is capable of being scaled up to kilogram/hour production rates. The fabrication step produced dense parts at significantly reduced sintering temperatures and times -- representing a factor of 10--100 reduction in process energy requirements. The process was demonstrated by producing ultrafine-grained yttria-stabilized ZrO[sub 2], an important material with a variety of energy-related applications (solid electrolytes, oxygen sensors, electrode materials, thermal barrier coatings, etc.). Results from this period clearly illustrate the capabilities of this energy-efficient and directly commercializable process for producing dense, nanocrystalline, multicomponent oxide ceramics.

Fully dense, nanocrystalline ceramic articles were prepared by the new nanofabrication process. The process consists of two steps: synthesis of ceramic nanoparticles and fabrication of dense, nanocrystalline ceramic parts. The synthesis step produced 10-nanometer-diameter crystallites, and is capable of being scaled up to kilogram/hour production rates. The fabrication step produced dense parts at significantly reduced sintering temperatures and times -- representing a factor of 10--100 reduction in process energy requirements. The process was demonstrated by producing ultrafine-grained yttria-stabilized ZrO{sub 2}, an important material with a variety of energy-related applications (solid electrolytes, oxygen sensors, electrode materials, thermal barrier coatings, etc.). Results from this period clearly illustrate the capabilities of this energy-efficient and directly commercializable process for producing dense, nanocrystalline, multicomponent oxide ceramics.

This description of work (DOW) details the field activities associated with assessing the vertical extent of groundwater contamination in the uppermost unconfined and confined aquifers beneath the southeastern portion of the 200 West area. The document serves as the test plan for those performing the work. It should be used in conjunction with the Remedial Investigation/Feasibility Study Work Plan for the 200-UP-1 Groundwater Operable Unit, Hanford Site, Richland, Washington (200-UP-1 Operable Unit Workplan) (DOE/RL 1991) for general investigation strategy and with specific procedures. Work scope for the vertical profiling activity is defined in sections 4.2 and 5.1.3 of the 200-UP-1 Operable Unit Workplan. The work is one portion of a proposed Limited Field Investigation (LFI) data collection program.

In examining methods for enhancing the biomethanation of TxL, several experiments were conducted to study the mechanisms of lowering the pH during biomethanation of Texas lignite (TxL) at higher solids loadings. Results indicated that: Treatment of TxL with different pH solutions did not influence the biomethanation process; The decrease in methane production at higher solids loadings still needs further investigations; Anaerobic conditions containing deoxygenated nitrogen:carbon dioxide provide better methanation of TxL; The most promising combination between the isolates from Mic-1 and Mic-4 was found to be combination D (KS14RMK8-1458); The KS14RMK8 shows the highest accumulation of acetate in the cell-free culture broth from this consortium.

Reported here is the progress on the Development of Biological Coal Gasification for DOE contract No. DE-AC21-90MC27226 MOD A006. Task 1, NEPA Compliance and Updated Test Plan has been completed. Progress toward Task 2, Enhanced Methane Production, is reported in the areas of bacterial strain improvement, addition of co-substrates, and low cost nutrient amendment. Conclusions reached as a result of this work are presented. Plans for future work are briefly outlined.

Single crystal silicon has been the material of choice for x-ray monochromators for the past several decades. However, the need for suitable monochromators to handle the high heat load of the next generation synchrotron x-ray beams on the one hand and the rapid and on-going advances in synthetic diamond technology on the other make a compelling case for the consideration of a diamond monochromator system. In this paper, we consider various aspects, advantages and disadvantages, and promises and pitfalls of such a system and evaluate the comparative performance of a diamond monochromator subjected to the high heat load of the most powerful x-ray beam that will become available in the next few years. The results of experiments performed to evaluate the diffraction properties of a currently available synthetic single crystal diamond are also presented. Fabrication of a diamond-based monochromator is within present technical means.

This is the seventeenth edition of the Directory of Energy Data Collection forms, an authoritative listing of selected public use forms currently used as basic energy information gathering tools by the Department of Energy (DOE). Originally entitled EIA Data Collection forms, this directory provides an overview of DOE`s energy information collection programs for decisionmakers in Government and industry.

Small scale crucible studies were performed by Schumacher to examine the effects of formate and nitrate on glass redox at high copper levels. The results of the crucible studies were used to determine the regions where copper precipitates in the glass. However, durability tests were not performed on the glass samples. Studies were performed in the 774 Research Melter using a simulated feed from the Purex 4 Campaign in the Integrated DWPF Melter System (IDMS). Three runs were performed with this simulated feed. The first used the feed as it was received to determine a baseline. The results from the second and third campaigns were compared to the baseline. The second run increased the copper concentration. The third increased the copper and formate concentrations. The purpose of these experiments was to investigate melter performance and glass durability using a feed with increased copper concentration. The Purex 4 feed did not contain the target amounts of sludge and Precipitate Hydrolysis Aqueous (PHA). Less than 20% of the feed slurry consisted of simulated sludge, making it a low waste-loading feed. The use of this feed with significantly more copper added than anticipated in the DWPF, showed no indication of copper precipitating in …

The SRTC has formally transmitted a recommendation to DWPF to replace copper formate with copper nitrate as the catalyst form during precipitate hydrolysis [1]. The SRTC was subsequently requested to formally document the technical bases for the recommendation. A memorandum was issued on August 23, 1993 detailing the activities (and responsible individuals) necessary to address the impact of this change in catalyst form on process compatibility, safety, processibility environmental impact and product glass quality [2]. One of the activities identified was the preparation of a material balance in which copper nitrate is substituted for copper formate and the identification of key comparisons between this material balance and the current Batch 1 sludge -- Late Wash material balance [3].

Prolonged delays in traffic experienced by Laboratory personnel during a recent early dismissal in inclement weather, coupled with reconstruction efforts along NM 502 east of the White Rock Wye for the next 1 to 2 years, has prompted Los Alamos National Laboratory (LANL) to re-evaluate and improve the present transportation plan and its integration with contingency plans maintained in other organizations. Facilities planners and emergency operations staff need to evaluate the transportation system`s capability to inefficiently and safely evacuate LANL under different low-level emergency conditions. A variety of potential procedures governing the release of employees from the different technical areas (TAs) requires evaluation, perhaps with regard to multiple emergency-condition scenarios, with one or more optimal procedures ultimately presented for adoption by Lab Management. The work undertaken in this project will hopefully lay a foundation for an on-going, progressive transportation system analysis capability. It utilizes microscale simulation techniques to affirm, reassess and validate the Laboratory`s Early Dismissal/Closure/Delayed Opening Plan. The Laboratory is required by Federal guidelines, and compelled by prudent practice and conscientious regard for the welfare of employees and nearby residents, to maintain plans and operating procedures for evacuation if the need arises. The tools developed during this process can …

The Pittsburgh Energy Technology Center of the US Department of Energy (DOE) has contracted with Combustion Engineering, Inc. (ABB CE) to perform work on the Engineering Development of Advanced Coal-Fired Low-Emission Boiler Systems'' Project and has authorized ABB CE to complete Phase I on a cost-reimbursable basis. The overall objective of the Project is the expedited commercialization of advanced coal-fired low-emission boiler systems. The specified primary objectives are: (1) NOx emissions not greater than one-third NSPS. (2) SOx emissions not greater than one-third NSPS. (3) Particulate emissions not greater than one-half NSPS. The specific secondary objectives are: (1) Improved ash disposability and reduced waste generation. (2) Reduced air toxics emissions. (3) Increased generating efficiency. The final deliverables are a design data base that will allow future coal-fired power plants to meet the stated objectives and a preliminary design of a commercial generation unit.

The Pittsburgh Energy Technology Center of the US Department of Energy (DOE) has contracted with Combustion Engineering, Inc. (ABB CE) to perform work on the ``Engineering Development of Advanced Coal-Fired Low-Emission Boiler Systems`` Project and has authorized ABB CE to complete Phase I on a cost-reimbursable basis. The overall objective of the Project is the expedited commercialization of advanced coal-fired low-emission boiler systems. The specified primary objectives are: (1) NOx emissions not greater than one-third NSPS. (2) SOx emissions not greater than one-third NSPS. (3) Particulate emissions not greater than one-half NSPS. The specific secondary objectives are: (1) Improved ash disposability and reduced waste generation. (2) Reduced air toxics emissions. (3) Increased generating efficiency. The final deliverables are a design data base that will allow future coal-fired power plants to meet the stated objectives and a preliminary design of a commercial generation unit.

This project is a major step in the Department of Energy`s program to show that ultra-clean coal-water slurry fuel (CWF) can be produced from selected coals and that this premium fuel will be a cost-effective replacement for oil and natural gas now fueling some of the industrial and utility boilers in the United States. The replacement of oil and gas with CWF can only be realized if retrofit costs are kept to a minimum and retrofit boiler emissions meet national goals for clean air. These concerns establish the specifications for maximum ash and sulfur levels and combustion properties of the CWF. This cost-share contract is a 48-month program which started on September 30, 1992. This report discusses the technical progress made during the quarter from April 1 to June 30, 1993. The project has three major objectives: (1) the primary objective is to develop the design base for prototype commercial advanced fine coal cleaning facilities capable of producing ultra-clean coals suitable for conversion to coal-water slurry fuel for premium fuel applications. The fine coal cleaning technologies are advanced column flotation and selective agglomeration. (2) a secondary objective is to develop the design base for near-term application of these advanced fine …

This study demonstrates the applicability of particle counting technology for analysis of various water treatment systems at the Rocky Flats Plant. The Particle Analysis System described in this study determined the water quality of samples from environmental remediation, stormwater treatment, and drinking water treatment operations. Samples were measured in either discrete or on-line mode. This data showed filtration efficiencies, particle counts, particle size distributions, and real-time treatment system performance. Particle counting proved more sensitive than the turbidimetric measurement technique commonly used by the water treatment industry. Particle counting is a two-dimensional measurement of counts and sizes, whereas turbidity is a one-dimensional measurement of water clarity. Samples showing identical turbidities could be distinguished easily with the Particle Analysis System. The Particle Analysis System proved to be an efficient and reliable water quality measurement tool, and it is applicable to a variety of water treatment systems at the Rocky Flats Plant.

Technical assistance was provided High Level Waste Engineering in the investigation and prevention of filming during decontamination by mopping. After mopping operations in a Tank Farm application, a film of the cleaning agent sometimes remained on the surface being cleaned which interfered with monitoring to detect the presence of radioactive material. Scoping tests were conducted to investigate filming characteristics of two cleaning materials. In addition, rinsing test were conducted to demonstrate how filming can be prevented.

The Financial Statistics of Major US Investor-Owned Electric Utilities publication presents summary and detailed financial accounting data on the investor-owned electric utilities. The objective of the publication is to provide Federal and State governments, industry, and the general public with current and historical data that can be used for policymaking and decisionmaking purposes related to investor-owned electric utility issues. The Financial Statistics of Major US Investor-Owned Electric Utilities publication provides information about the financial results of operations of investor-owned electric utilities for use by government, industry, electric utilities, financial organizations and educational institutions in energy planning. In the private sector, the readers of this publication are researchers and analysts associated with the financial markets, the policymaking and decisionmaking members of electric utility companies, and economic development organizations. Other organizations that may be interested in the data presented in this publication include manufacturers of electric power equipment and marketing organizations. In the public sector, the readers of this publication include analysts, researchers, statisticians, and other professionals engaged in regulatory, policy, and program areas. These individuals are generally associated with the Congress, other legislative bodies, State public utility commissions, universities, and national strategic planning organizations.

This report provides the status and accomplishments from fiscal year site characterization activities conducted as part of the 200 West Area Carbon Tetrachloride Expedited Response Action and the Volatile Organic Compounds - Arid Integrated Demonstration. The report includes or references all available raw data collected as part of these tasks. During fiscal year 1993, the 200 West Area Carbon Tetrachloride Expedited Response Action and the Volatile Organic Compounds - Arid Integrated Demonstration programs focused on the carbon tetrachloride plume in the unsaturated zone underlying the 200 West Area at the Hanford Site in southeast Washington.

This document provides a discussion of the technical progress on DOE/PETC project number DE-AC22-92PC91338, {open_quotes}High Efficiency SO{sub 2} Removal Testing{close_quotes}, for the time period 1 July through 30 September, 1993. The project involves testing at six full-scale utility flue gas desulfurization (FGD) systems, to evaluate low capital cost upgrades that may allow these systems to achieve up to 98% SO{sub 2} removal efficiency. The upgrades to be evaluated primarily involve the addition of organic acid buffers to the FGD systems. The {open_quotes}base{close_quotes} project involved testing at the Tampa Electric Company Big Bend station. As of September 1993, all five potential options to the base program had been exercised by DOE, involving testing at the Hoosier Energy Merom Station (Option I), the Southwestern Electric Power Company Pirkey Station (Option II), the PSI Energy Gibson Station (Option III), the Duquesne Light Elrama Station (Option IV), and the New York State Electric and Gas Company Kintigh Station (Option V). As of September 1993, testing has been completed for the base project and for Options 1 and 2, has begun but not been completed for Options III and IV, and has not yet begun for Option V. This document is divided into five sections. …

The objectives of this project are to study the effect of pretreatment methods on the two-stage liquefaction process. In particular the effects of dispersed catalysts and carbon monoxide atmospheres on a coal liquefaction process. The project is divided into three technical tasks. Task 1 and 2 deal with the analyses and liquefaction experiments, respectively, whereas Task 3 deals with the economic impact of utilizing the pretreatment methods. This quarter concentrated on Tasks 1 and 2. which are summarized below. The fractionated products from the coal liquefaction experiments conducted in Task 2 exhibited a very low H/C ratio, most likely due to the low H/C ratio of the Black Thunder recycle vehicle used in these liquefaction experiments. Wilsonville has reported the recycle vehicle as approximately 20% distillable material (1100{degree}F at one atmosphere), 20% insoluble material (CI) and 40% resid. We are now in the process of fractionating this material in order to determine its contribution to our liquefaction results. We also analyzed some of the sulfated iron catalysts for surface areas, finding that the calcined catalyst had surface areas of 76 m{sup 2}/g, compared to 6 m{sup 2}/g for the iron oxide used by Wilsonville. We also synthesized two more catalysts, …

Sophisticated models of the movement of particles, particularly bacteria and viruses, through porous media have been developed, but have met with limited success when compared to field observations some argue that the poor predictive capabilities of the models are due in part to the fact that most of the sophisticated models are tied to an assumptions of homogeneity within the flow field. In previous work, the structure of random percolation fields has been investigated and suggests application of percolation theory to heterogeneous porous media. One conclusion from this study as applied to particle transport is that as the distribution of pore throat sizes takes on variation in the third dimension, the probability of finding a continuous flow path with large throat size increases. One interpretation of this work, within the current context, leads to an argument that a saturated medium will become more open to transport of particles as the medium takes on three dimensional structure. The central hypothesis of the current project is therefore be stated: Particles which are suspended within the pore fluids of media demonstrating three-dimensional heterogeneities will be transported at higher average velocities and with less trapping than particles which are suspended in the pore fluids …

The Oklahoma Geological Survey (OGS), the Geological Information Systems department, and the School of Petroleum and Geological Engineering at the University of Oklahoma are engaging in a program to identify and address Oklahoma`s oil recovery opportunities in fluvial-dominated deltaic (FDD) reservoirs. This program includes the systematic and comprehensive collection and evaluation of information on all of Oklahoma`s FDD reservoirs and the recovery-technologies that have been (or could be) applied to those reservoirs with commercial success. This data collection and evaluation effort will be the foundation for an aggressive, multifaceted technology transfer program that is designed to support all of Oklahoma`s oil industry, with particular emphasis on smaller companies and independent operators in their attempts to maximize the economic producibility of FDD reservoirs. Specifically, this project will identify all FDD oil reservoirs in the State; group those reservoirs into plays that have similar depositional and subsequent geologic histories; collect, organize and analyze all available data; conduct characterization and simulation studies on selected reservoirs in each play; and implement a technology transfer program targeted to the operators of FDD reservoirs to sustain the life expectancy of existing wells with the ultimate objective of increasing oil recovery.