The electrochemistry of the heterobimetallic complexes (fulvalene)WFe(CO){sub 5} (30) and (fulvalene)WRu(CO){sub 5} (31) has been investigated. Compound 30 is reduced in two one-electron processes, and this behavior was exploited synthetically to prepare a tetranuclear dimer by selective metal reduction. Complex 31 displayed a distinction between the metals upon reoxidation of the dianion, allowing the formation of a dimer by selective metal anion oxidation. The redox behavior of 30 led to an investigation of the use of electrocatalysis to effect metal-specific ligand substitution. It was found that reduction of 30 with a catalytic amount of CpFe(C{sub 6}Me{sub 6}) (97) in the presence of excess P(OMe){sub 3} or PMe{sub 3} led to the formation of the zwitterions (fulvalene)[W(CO){sub 3}{sup {minus}}][Fe(CO)PR{sub 3}{sup +}] (107, R = P(OMe){sub 3}; 108, R = PMe{sub 3}). Compound 31 also displayed unique behavior with different reducing agents, as the monosubstituted zwitterion (fulvalene)[W(CO){sub 3}{sup {minus}}][Ru(CO){sub 2}(PMe{sub 3}){sup +}] was obtained when 97 was used while the disubstituted complex (fulvalene) [W(CO){sub 3}{sup {minus}}] [Ru(CO)(PMe{sub 3}){sub 2}{sup +}] was produced when Cp*Fe(C{sub 6}Me{sub 6}) was the catalyst. Potential synthetic routes to quatercyclopentadienyl complexes were also explored. Various attempts to couple heterobimetallic fulvalene compounds proved to be unsuccessful. 138 refs.

The Advanced Photon Source (APS), now under construction at Argonne National Laboratory (ANL), requires dipole, quadrupole, sextupole, and corrector magnets for each of its circular accelerator systems. Three-dimensional (3-D) field computations are needed to eliminate unwanted multipole fields from the ends of long quadrupole and dipole magnets and to guarantee that the flux levels in the poles of short magnets will not cause saturation. Measurements of the magnets show good agreement with the computations.

An improved and extended pellet fabrication and feed mechanism is being developed for the Oak Ridge National Laboratory (ORNL) centrifuge pellet injector that is presently installed on Tore Supra. This upgrade will extend the number of pellets available for a single-plasma discharge from 100 to 400. In addition, a new pusher and delivery system is expected to improve the performance of the device. As in the original system, deuterium ice is deposited from the gas phase on a liquid-helium-cooled rotating disk, forming a rim of solid deuterium. The rim of ice is machined to a parabolic profile from which pellets are pushed. In the new device, a stack of four ice rims are formed simultaneously, thereby increasing the capacity from 100 to 400 pellets. An improved method of ice formation has also been developed that produces clear ice. The pellet pusher and delivery system utilizes a four-axis, brushless dc servo system to precisely cut and deliver the pellets from the ice rim to the entrance of the centrifuge wheel. Pellets can be formed with sizes ranging from 2.5- to 4-mm diam at a rate of up to 8 per second. The operation of the injector is fully automated by a …

This report summarizes the progress States and compact regions made during 1992 in establishing new low-level radioactive waste disposal facilities. It also provides summary information on the volume of low-level radioactive waste received for disposal in 1992 by commercially operated low-level radioactive waste disposal facilities. This report is in response to section 7 (b) of the Low-Level Radioactive Waste Policy Act.

An Advanced Photon Source (APS) Collaborative Access Team (CAT) Workshop on Beamline Optical Designs was held at Argonne National Laboratory on July 26--27, 1993. The goal of this workshop was to bring together experts from various synchrotron sources to provide status reports on crystal, reflecting, and polarizing optics as a baseline for discussions of issues facing optical designers for CAT beamlines at the APS. Speakers from the European Synchrotron Radiation Facility (ESRF), the University of Chicago, the National Synchrotron Light Source, and the University of Manchester (England) described single- and double-crystal monochromators, mirrors, glass capillaries, and polarizing optics. Following these presentations, the 90 participants divided into three working groups: Crystal Optics Design, Reflecting Optics, and Optics for Polarization Studies. This volume contains copies of the presentation materials from all speakers, summaries of the three working groups, and a ``catalog`` of various monochromator designs.

This report provides a complete description of the analytic and discretized equations for 2D deterministic radiation transport. This computational model has been checked against a wide variety of analytic test problems and found to give excellent results. We make extensive use of the discontinuous finite element method.

We identify the binding sites for adsorption of a single Ge atom on the Si(100) surface using ab initio total energy calculations. The calculated diffusion barriers are in excellent agreement with experimental estimates. Using a large supercell we resolve the controversy regarding the binding geometry and migration path for the adatom, and investigate the influence of the adatom on the buckling of Si dimers. The adatom induces a buckling defect that is frequently observed using scanning tunneling microscopy (STM); therefore the study of single adatoms may be experimentally accessible.

In the present study we are studying the effects of including carbon dioxide, ozone, methane, and the halocarbons in addition to water vapor in the radiating atmosphere. The study has focused on two principal issues: the effect on the spectral fluxes and cooling rates of carbon dioxide, ozone and the halocarbons at 1990 concentration levels and the change in fluxes and cooling rates as a consequence of the anticipated ten year change in the profiles of these species. For the latter study the water vapor profiles have been taken as invariant in time. The radiative line-by-line calculations using LBLRTM (Line-By-Line Radiative Transfer Model) have been performed for tropical (TRP), mid-latitude winter (MLW) and mid-latitude summer (MLS) model atmospheres. The halocarbons considered in the present study are CCl{sub 4}, CFC-11, CFC-12 and CFC-22. In addition to considering the radiative effects of carbon dioxide at 355 ppM, the assumed current level, we have also obtained results for doubled carbon dioxide at 710 ppM. An important focus of the current research effort is the effect of the ozone depletion profile on atmospheric radiative effects.

During the Remedial Investigation and Feasibility Study (RI/FS) phase of a CERCLA cleanup, it is possible to implement interim actions at a site ``to respond to an immediate site threat or take advantage of an opportunity to significantly reduce risk quickly.`` An interim action is a short term action that addresses threats to public health and safety and is generally followed by the RI/FS process to achieve complete long term protection of human health and the environment. Typically, an interim action is small in scope and can be implemented quickly to reduce risks, such as the addition of a security fence around a known or suspected hazard, or construction of a temporary cap to reduce run-on/run-off from a contaminant source. For more specialized situations, however, the possibility exists to apply the intent of the interim action guidance to a much larger project scope. The primary focus of this paper is the discussion of the interim action approach for streamlined remedial action and presentation of an example large-scale project utilizing this approach at the Fernald Environmental Management Project (FEMP).

This document is about the establishment of unique nominal coordinate conventions inside the RHIC accelerator physics RAP(group).

When presented with a new supercomputer most users will first ask {open_quotes}How much faster will my applications run?{close_quotes} and then add a fearful {open_quotes}How much effort will it take me to convert to the new machine?{close_quotes} This paper describes some lessons learned at Sandia while asking these questions about the new 1800+ node Intel Paragon. The authors conclude that the operating system is crucial to both achieving high performance and allowing easy conversion from previous parallel implementations to a new machine. Using the Sandia/UNM Operating System (SUNMOS) they were able to port a LU factorization of dense matrices from the nCUBE2 to the Paragon and achieve 92% scaled speed-up on 1024 nodes. Thus on a 44,000 by 44,000 matrix which had required over 10 hours on the previous machine, they completed in less than 1/2 hour at a rate of over 40 GFLOPS. Two keys to achieving such high performance were the small size of SUNMOS (less than 256 kbytes) and the ability to send large messages with very low overhead.

Acid digestion process development began at the Hanford Site in 1972 with a beaker of laboratory acid and progressed through laboratory and pilot-scale development culminating in the Radioactive Acid Digestion Test Unit (RADTU). The RADTU was operational from 1977 through 1982 and processed over 5,000 kg of synthetic and combustible waste forms from Hanford Site operations. It routinely reacted plastics, wood, paper, cloth, ion-exchange resins, metals, and solvents. Operation of RADTU routinely gave volume reductions of 100:1 for most plastics and other combustibles. The residue was inert and was disposed of both as generated and after application of other immobilization techniques, such as calcination, addition to glass, and cement addition. The system was designed to accommodate offgas surges from highly reactive nitrated organics and successfully demonstrated that capability. The system was designed and operated under very stringent safety standards. The Weapons Destruction Integrated Demonstration (WeDID) program required a technology that could dispose of an assortment of weapon components, such as complex electronics, neutron generators, thermal batteries, plastics, cases, cables, and others. A program objective was to recycle and reuse materials wherever possible, but many unique components would need to be rendered inactive, inert, and suitable for disposal under current environmental …

Waste grouts prepared by mixing a simulated nonradioactive liquid waste with a dry solids blend consisting of cement, fly ash, and clay were screened for their acute toxicity using aquatic invertebrates (D. magna, D. pulex, and C. dubia) as test organisms and a fluorogenic substrate (4-methylumbelliferyl b-d galactoside) as the toxic stress indicator. After one hour of exposing juvenile daphnids to grout extracts of varying concentrations, followed by a 15-minute reaction with the fluorogenic substrate, the degree of in vivo enzymatic inhibition was measured by the number of resulting fluorescent daphnids. The effective concentration at which 50% of the daphnids were adversely affected (EC50) values calculated by probit analysis were 2,877 mg/L, 2,983 mg/L, and 3,174 mg/L for D. pulex, D. magna, and C. dubia, respectively. The results indicated that the grout extracts studied are nonhazardous and not dangerous to daphnids.

Adaptive sampling programs offer substantial savings in time and money when assessing hazardous waste sites. Key to some of these savings is the ability to adapt a sampling program to the real-time data generated by an adaptive sampling program. This paper presents a two-prong approach to supporting adaptive sampling programs: a specialized object-oriented database/geographical information system (SitePlanner{trademark} ) for data fusion, management, and display and combined Bayesian/geostatistical methods (PLUME) for contamination-extent estimation and sample location selection. This approach is applied in a retrospective study of a subsurface chromium plume at Sandia National Laboratories` chemical waste landfill. Retrospective analyses suggest the potential for characterization cost savings on the order of 60% through a reduction in the number of sampling programs, total number of soil boreholes, and number of samples analyzed from each borehole.

The logs in this addendum were plotted in a new format by the same software package (LOGGER by Rockware, Denver, CO) that was used in the original publication. The scale remains the same, 1 inch = 15 foot. The header is totally automated with a subheading indexing the well-construction symbols. Geophysical curves are labeled in their respective channels, and percentage core recovery is plotted in a histogram. Lithologic symbols are plotted to scale in a channel similar to previous logs. The lithologic description also has been automated to assure consistency in terminology. Descriptions are more extensive and are referenced by leader lines to the lithologic symbol. Additional figures included for this Addendum are: a plot of all the monitoring well locations at the LLNL Main site and a plot detailing the gasoline spill area well locations in the vicinity of Building 403.

This 1993 Addendum to the ``Environmental Monitoring Plan Nevada Test Site and Support Facilities -- 1991,`` Report No. DOE/NV/10630-28 (EMP) applies to the US Department of Energy`s (DOE`s) operations on the Continental US (including Amchitka Island, Alaska) that are under the purview of the DOE Nevada Operations Office (DOE/NV). The primary purpose of these operations is the conduct of the nuclear weapons testing program for the DOE and the Department of Defense. Since 1951, these tests have been conducted principally at the Nevada Test Site (NTS), which is located approximately 100 miles northwest of Las Vegas, Nevada. In accordance with DOE Order 5400.1, this 1993 Addendum to the EMP brings together, in one document, updated information and/or new sections to the description of the environmental activities conducted at the NTS by user organizations, operations support contractors, and the US Environmental Protection Agency (EPA) originally published in the EMP. The EPA conducts both the offsite environmental monitoring program around the NTS and post-operational monitoring efforts at non-NTS test locations used between 1961 and 1973 in other parts of the continental US. All of these monitoring activities are conducted under the auspices of the DOE/NV, which has the stated policy of conducting …

This progress report under DOE Grant DE-FG02-85ER3211 covers the period 15 December 1992 through 15 October 1993. The major accomplishments of this period are summarized below: The basic TEXT heavy ion beam probe including the primary beam line, the upper secondary beam line with the old 500 keV analyzer, and the lower secondary beam line with the new 2 MeV analyzer is operational and system shake-down is now beginning. Several subsystems of the complete system design are still under development, including secondary beam line sweeps, primary beam detectors, the digital control and data acquisition system. The lower analyzer entrance aperture and detector plates also have very limited capabilities to make it possible to more rapidly obtain satisfactory initial alignment and calibration conditions. We have performed a variety of high voltage tests that establish the basic efficacy of the 2 MeV analyzer design. We have upgraded the ion optics and added vacuum chambers in our vertical test stand facility to allow us to test the 2 MeV analyzers. We have also constructed a facility for testing ion source characteristics. We analyzed data on primary beam modulation taken during the last run period and confirmed the accuracy of our simulation code. Analysis …

Construction and commissioning of the bench unit for operation of the first stage of the process was completed. Solubilization of Black Thunder coal using carbon monoxide and steam was successfully demonstrated in the counterflow reactor system. The results were comparable with those obtained in the autoclave with the exception that coal solubilization at the same nominal residence times was slightly lower. The bench unit has now been modified for two stage operation. The Wilsonville process derived solvent for Black Thunder coal (V-1074) was found to be essentially as stable as the previous solvent used in the autoclave runs (V-178 + 320) at reactor conditions. This solvent (V-1074) is, therefore, being used in the bench unit tests. Carbon monoxide may be replaced by synthesis gas for the coal solubilization step in the process. However, in autoclave tests, coal conversion was found to be dependent on the amount of carbon monoxide present in the synthesis gas. Coal conversions ranged from 88% for pure carbon monoxide to 67% for a 25:75 carbon monoxide/hydrogen mixture at equivalent conditions. Two stage liquefaction tests were completed in the autoclave using a disposable catalyst (FeS) and hydrogen in the second stage. Increased coal conversion, higher gas and …

Detailed reports from a number of laboratories give results of bench-scale experiments involving pretreatments, recycle oil dewaxing, dispersed iron and molybdenum catalysts, reactor size, fluid coking, solvent extraction of products, etc. It was not possible to prepare a simple overall abstract.

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The plant being developed is a hybrid of two technologies; it incorporates the partial gasification of coal in a vessel called the carbonizer and the combustion of the resultant char residue in a circulating pressurized fluidized bed combustor (CPFBC). In this plant, coal is fed to a pressurized carbonizer that produces a low-Btu fuel gas and char. After passing through a cyclone and a ceramic barrier filter to remove gas-entrained particulates, the fuel gas is burned in a topping combustor to produce the energy required to drive a gas turbine. The gas turbine drives a generator and a compressor that feeds air to the carbonizer, a CPFBC, and a fluidized bed heat exchanger (FBHE). The carbonizer char is burned in the CPFBC with high excess air. The vitiated air from the CPFBC supports combustion of the fuel gas in the gas turbine topping combustor. Steam generated in a heat-recovery steam generator (HRSG) downstream of the gas turbine and in the FBHE associated with the CPFBC drives the steam turbine generator that furnishes the balance of electric power delivered by the plant. The low-Btu gas is produced in the carbonizer by pyrolysis/mild devolatilization of coal in a fluidized bed reactor. Because …

The objective of this work is to develop a novel system for regenerable SO{sub 2} and NO{sub x} scrubbing of flue gas that focuses on a novel method for regeneration of spent SO{sub 2} scrubbing liquor and novel chemistry for reversible absorption of NO{sub x}. High efficiency hollow fiber contractors (BFC) are proposed as the devices for scrubbing the SO{sub 2} and NO{sub x}. The system will remove more than 95% of the SO{sub x} and more than 75% of the NO{sub x} from flue gases typical of pulverized coal-fired power plants at a cost at least 20% less than combined wet limestone scrubbing of SO{sub x} and selective catalytic reduction of NO{sub x}. The process will make only marketable byproducts. The approach is to reduce the capital cost using high efficiency hollow fiber devices for absorbing and desorbing the SO{sub 2} and NO{sub x}. New process chemistry is introduced to minimize well-known problems with SO{sub 2} and NO{sub x} absorption and desorption. The novel chemistry for scrubbing NO{sub x} will consist of water soluble phthalocyanine compounds invented by SRI and polymeric forms of Fe{sup ++} complexes similar to traditional NO{sub x} scrubbing media. Past work with the phthalocyanine compounds …

Allison draws the following preliminary conclusions from this preliminary design effort: (1) All cycles investigated require a high temperature turbine capability to be developed under ATS. (2) The HAT and intercooled chemical recuperation cycles compete in only a narrow sector of the industrial engine market. This is the result of the complexity and water usage of the HAT cycle and the limitation of the chemical recuperation cycle to applications where natural gas is readily available. (3) From a cycle point of view, the ICR and chemical recuperation cycles are similar. Both optimize at fairly low compressor pressure ratios ({approximately}15) because both want high temperature in the exhaust to optimize the recuperation process. Excess steam production with the chemical recuperation process makes it somewhat doubtful that the two recuperation processes are interchangeable from a hardware point of view. Allison intends to perform a global optimization on this cycle during Phase 2 of ATS. (4). There appears to be no substitute for the simple cycle with steam generation in the cogen-steam market since steam is, by definition, a valuable product of the cycle.

The ABB selection for the Advanced Turbine System (ATS) includes advanced developments especially in the hot gas path of the combustion turbine and new state-of-the-art units such as the steam turbine and the HRSG. The increase in efficiency by more than 10% multiplicative compared to current designs will be based on: (1) Turbine Inlet Temperature Increase; (2) New Cooling Techniques for Stationary and Rotating Parts; and New Materials. Present, projected component improvements that will be introduced with the above mentioned issues will yield improved CCSC turbine performance, which will drive the ATS selected gas-fired reference CC power plant to 6 % LHV or better. The decrease in emission levels requires a careful optimization of the cycle design, where cooling air consumption has to be minimized. All interfaces of the individual systems in the complete CC Plant need careful checks, especially to avoid unnecessary margins in the individual designs. This study is an important step pointing out the feasibility of the ATS program with realistic goals set by DOE, which, however, will present challenges for Phase II time schedule of 18 months. With the approach outlined in this study and close cooperation with DOE, ATS program success can be achieved to …