A high pressure apparatus constructed for measuring the rates of reactions in liquids under pressures ranging from 1 atm to 2000 atm has been used to measure the complexation kinetics of molybdenum hexacarbonyl reacting with 2,2-bipyridine, 4,4{prime}-dimethyl-2-2{prime}-bipyridine and 4,4{prime}-diphenyl-2-2{prime} bipyridine in toluene. Pentacarbonyl reaction intermediates are created by a 10 nsec flash of frequency tripled Nd:YAG laser light. Measured activation volumes for chelate ligand ring closure indicate a change in mechanism from associative interchange to dissociative interchange as steric hindrance increases. A similar high pressure kinetics study of molybdenum carbonyl complexation by several substituted phenanthrolines is now well advanced that indicates that with the more rigid phenanthroline ligands steric effects from bulky substituents have less effect on the ring closure mechanism than in the case of the bipyridine ligands. An experimental concentration dependence of the fluorescence quantum yield of cresyl violet has been harmonized with previously published contradictory reports. Fluorescence of cresyl violet in various solvents and in micellar systems has also been systematically explored.

The availability of instrumentation to measure the high outlet gas temperature of a particle bed reactor is a topic of some concern. There are a number of possible techniques with advantages and disadvantages. In order to provide some baseline choice of instrumentation, a review has been conducted of these various technologies. This report summarizes the results of this review for a group of technologies loosely defined as optical techniques (excluding optical pyrometry). The review has concentrated on a number of questions for each technology investigated. These are: (1) Description of the technology, (2) Anticipated sensitivity and accuracy, (3) Requirements for implementation, (4) Necessary development time and costs, (5) Advantages and disadvantages of the technology. Each of these areas was considered for a technology and a large number of technologies were considered in a review of the literature. Based upon this review it was found that a large number of methods exist to measure temperatures in excess of 2000 K. None of the methods found were ideal. Four methods, however, appeared to warrant further consideration: opto-mechanical expansion thermometry, surface Raman spectroscopy, gas-phase Raman spectroscopy and coherent anti-Stokes Raman spectroscopy (CARS). These techniques will be discussed further in this document.

The oceans play a critical role in regulating the global carbon cycle. Deep-ocean waters are roughly 200% supersaturated with CO{sub 2} compared to surface waters, which are in contact with the atmosphere. This difference is due to the flux of photosynthetically derived organic material from surface to deep waters and its subsequent remineralization, i.e. the biological pump''. The pump is a complex phytoplankton-based ecosystem. the paradoxical nature of ocean regions containing high nutrients and low phytoplankton populations has intrigued biological oceanographers for many years. Hypotheses to explain the paradox include the regulation of productivity by light, temperature, zooplankton grazing, and trace metal limitation and/or toxicity. To date, none of the hypotheses, or combinations thereof, has emerged as a widely accepted explanation for why the nitrogen and phosphorus are not depleted in these regions of the oceans. Recently, new evidence has emerged which supports the hypothesis that iron limitation regulates primary production in these areas. This has stimulated discussions of the feasibility of fertilizing parts the Southern Ocean with iron, and thus sequestering additional atmospheric CO{sub 2} in the deep oceans, where it would remain over the next few centuries. The economic, social, and ethical concerns surrounding such a proposition, along …

Our objectives during this quarter was to complete studies on the kinetics of methanol synthesis reaction in the slurry reactor with long periods of on stream studies, start experimentation in the trickle bed reactor assembly, investigate simulation studies using the piston-exchange (PE) and piston-dispersion-exchange (PDE) models, and introduce water gas shift reaction as the second reaction in our simulation studies.

The concept of a Super Fixed Target Beauty Facility (SFT) which uses a relatively low intensity 20 TeV proton beam as a generator of very high momenta B's is an exciting prospect which is very competitive with other B factory ideas. The yields of B's in such a facility are quite high (3 {times} 10{sup 10} {yields} 10{sup 11} B's per year). At this level of statistics, CP violation measurements will be possible in many modes. In addition, the fixed target configuration, because of the high momenta of the produced B's and the resulting long decay lengths, facilitates the detection and reconstruction of B's and offers unique opportunities for observation of the B decays. The limited solid angle coverage required for the fixed target spectrometer makes the cost of the facility much cheaper than other e{sup +}e{sup {minus}} or hadron collider options under consideration. The relatively low intensity 20 TeV beam (1 {yields} 2 {times} 10{sup 8} protons/second) needed for the SFT makes it possible to consider an extraction system which operates concurrently and in a non-interfering manner with the other collider experiments. One possible method for generating such a beam, crystal channeling, is discussed.

This report covers the progress made on the title project for the project period. Four major areas of inquiry are being pursued. Advanced solid state NMR methods are being developed to assay the distribution of the various important functional groups that determine the reactivity of coals. Special attention is being paid to methods that are compatible with the very high magic angle sample spinning rates needed for operation at the high magnetic field strengths available today. Polarization inversion methods utilizing the difference in heat capacities of small groups of spins are particularly promising. Methods combining proton-proton spin diffusion with [sup 13]C CPMAS readout are being developed to determine the connectivity of functional groups in coals in a high sensitivity relay type of experiment. Additional work is aimed at delineating the role of methyl group rotation in the proton NMR relaxation behavior of coals.

Results are reported on adsorption of water vapor on reservoir rocks, physics of injection of water into vapor-dominated geothermal reservoirs, earth-tide effects on downhole pressures, injection optimization at the Geysers, effects of salinity in adsorption experiments, interpreting multiwell pressure data from Ohaaki, and estimation of adsorption parameters from transient experiments.

A mathematical model for the formation rate of ammonium nitrate in the off-gas line of the Sludge Receipt and Adjustment Tank (SRAT) and the Slurry Mixed Evaporator (SME) in DWPF has been developed. The formation rate of ammonium nitrate in the off-gas line depends on pH, temperature, volume and total concentration of ammonia and ammonium ion. Based on a typical SRAT and SME cycle in DWPF, this model predicts the SRAT contributes about 50 lbs of ammonium nitrate while SME contributes about 60 lbs of ammonium nitrate to the off-gas line.

The principal objective of this research is to determine the role host petroleum-derived oils (1000[degrees]F+), as well as that of catalytically treated host oils, play when used as liquefaction solvents in coprocessing with coal. The host oils will be extensively characterized and then pretreated in a number of ways which involve catalytic reactions such as hydrogenation, hydrocracking, isomerization, and dehydrogenation. The pretreated oils win then be characterized. The effects of the host oil on coprocessing with coal win be compared to those obtained using catalytically modified heavy oils. When appropriate, model compounds will be used to study specific reactions brought about by the pretreatments. Highly dispersed iron catalysts modified by the addition of small amounts of other metals wig be used to modify the chemical composition of the host oils. Work continued on Task H during this quarter. In the first phase of this task, the test oil, an Amoco resid, is being treated with hydrogenation catalysts such as Mo(CO)[sub 6] and Fe[sub 2]O[sub 3]/SO[sub 4] to determine the conditions necessary to increase the hydrogen content from about 10.2 wt % to about 11.5 wt %. In the second phase, more severe hydrogenation/hydrorefining is being carried out to determine the …

On August 14, 1992, the United States Department of Energy issued a Request for Comments Concerning State Policies Affecting Natural Gas Consumption. This Notice of (NOI) noted the increasing significance of the role played by states and sought to gain better understanding of how state policies impact the gas industry. The general trend toward a. more competitive marketplace for natural gas, as well as recent regulatory and legislative changes at the Federal level, are driving State regulatory agencies to reevaluate how they regulate natural gas. State action is having a significant impact on the use of natural gas for generating electricity, as well as affecting the cost-effective trade-off between conservation expenditures and gas use. Additionally, fuel choice has an impact upon the environment and national energy security. In light of these dimensions, the Department of Energy initiated this study of State regulation. The goals of this NOI are: (1) help DOE better understand the impact of State policies on the efficient use of gas; (2) increase the awareness of the natural gas industry and Federal and State officials to the important role of State policies and regulations; (3) create an improved forum for dialogue on State and Federal natural gas …

Phase transformation and cracking during RT aging of charged, high-purity Fe18Cr12Ni alloy and commerical 304 ss were examined; results show that [epsilon]* (hcp) hydride formed on Fe18Cr12Ni upon charging, and it decomposed rapidly to form first [epsilon] and then [alpha]' martensite. Morphology of fracture surfaces of Fe18Cr12Ni produced by corrosion fatigue in NaCl solutions and in hydrogen was found to be identical. Effort was made to examine the approaches and methodologies used in service life predictions and reliability analyses.

During design reviews of the Recycle Colection Tank (RCT) at the Savannah River Site it was determined that in all cases the RCT scrub solution could not be routed to the RCT. During transfers to the tank farm (estimated ten hour cycle), the ammonia evolved from the RCT is scrubbed by the RCT scrubber and the ammonia scrub water must be returned to the SMECT. The result of this is an increased steady state concentration of ammonium in the SMECT water used for the ammonia scrubbers. The maximum ammonium concentration is necessary for the sizing of the ammonia scrubbers for the Sludge Receipt and Adjustment Tank (SRAT),Slurry Mix Evaporator (SME), and RCT.

The Mark 22 assemblies previously charged to the P Reactor as the P-11 charge, but never irradiated, are stored in borated racks in Building 105-K Assembly Area. The assemblies are stored inside aluminum cans into which they are placed and subsequently dried upon removal from the P-Reactor. This report discusses non-destructive examinations supplemented by destructive examination of a small number of these assemblies made to establish the acceptability of these assemblies for use as the K-15 charge.

Three experiments were conducted within a semiarid shrubland to test the role of nitrogen availability as a control mechanism in secondary succession. Secondary succession patterns were documented for seven years and effects of increased and decreased N availability levels, fumigation, and competition by early-seral species were tested. Differential responses by seral species were determined and related to successional patterns. Nitrogen availability was found to be a primary mechanism controlling the rate of succession. Relative growth rate was an important factor determining which species initially dominated and N availability became the primary control factor by the third year. As N availability increased, the rate of succession decreased. Conversely, as N availability was decreased, the rate of succession increased. The abundance of annuals was increased and abundance of perennials decreased by increased N availability. Tissue N concentration was related to lifeform and seral position, and these relationships were important in the transition from early- to mid-seral stages. Decomposer subsystem dynamics were correlated with seral community dynamics. The effect of fumigation was minimized by initially planting with late-seral species. A conceptual model of secondary succession is presented based on N availability, relative growth rate, lifeform, and decomposition dynamics.

Much has been written about ceramic superconductors since their discovery in 1986. Most of this writing reports and describes scientific research. However, some authors have sought to put this research in context: to assess where the field stands, what might be technically feasible, what might be economically feasible, and what potential impacts ceramic superconductors will bring to the electric power sector. This report's purpose is to make the results of already published assessments readily available. To that end, this report lists and provides abstracts for various technical and economic assessments related to applications of High-Temperature Superconductors (HTS) to the electric power sector. Those studies deemed most important are identified and summarized. These assessments were identified by two means. First, members of the Executive Committee identified some reports as worthy of consideration and forwarded them to Argonne National Laboratory. Twelve assessments were selected. Each of these is listed and summarized in the following section. Second, a bibliographic search was performed on five databases: INSPEC, NTIS, COMPENDEX, Energy Science Technology, and Electric Power Database. The search consisted of first selecting all papers related to High Temperature Superconductors. Then papers related to SMES, cables, generators, motors, fault current limiters, or electric utilities were …

An analytic approach was used in this study to test the logic, coding, and the theoretical limits of the WIND System atmospheric models for the Savannah River Plant. In this method, dose or concentration estimates predicted by the models were compared to the analytic solutions to evaluate their performance. The results from AREA EVACUATION and PLTFF/PLUME were very nearly identical to the analytic solutions they are based on and the evaluation procedure demonstrated that these models were able to reproduce the theoretical characteristics of a puff or a plume. The dose or concentration predicted by PLTFF/PLUME was always within 1% of the analytic solution. Differences between the dose predicted by 2DPUF and its analytic solution were substantially greater than those associated with PUFF/PLUME, but were usually smaller than 6%. This behavior was expected because PUFF/PLUME solves a form of the analytic solution for a single puff, and 2DPUF performs an integration over a period of time for several puffs to obtain the dose. Relatively large differences between the dose predicted by 2DPUF and its analytic solution were found to occur close to the source under stable atmospheric conditions. WIND System users should be aware of these situations in which the …

the travelers attended the Fifth International Congress of Ecology (INTECOL) in Yokohama, Japan, and two presented invited papers and chaired symposia. One traveler also attended the OJI International Seminar in Gifu, Japan and the Fukuoka Symposium on Theoretical Ecology in Fukuoka, Japan and presented invited papers. At these scientific gatherings, a large number of symposia and specific presentations were relevant to current research at Oak Ridge National Laboratory (ORNL), especially in the areas of landscape dynamics, plant physiology, and aquatic ecosystems.

The EMPACT experiment utilizes a broad approach to maximize its discovery potential for new phenomena accessible at the SSC. The high resolution detector has a balances emphasis on, and large acceptance for, electrons, muons, jets, and noninteracting particles, and is capable of utilizing the ultimate luminosity of the SSC. The detector emphasizes excellent calorimetry augmented by TRD tracking, and employs an innovative system of superconducting air core toroids for muon measurements. Significant engineering effort has established the feasibility of a baseline detector concept and has addressed the related issues of support facilities, assembly, and detector integration. The design has been tested against the challenges of predicted phenomena, with the expectation that this will optimize the capacity for observing the unexpected. EMPACT's international collaboration has unprecedented support from major aerospace industries who are providing tools and expertise for project design and integration, which will assure that a detector optimized for performance and cost will be available for the first collisions at the new laboratory.

Travel to the Forschungszentrum (KFA) -- Juelich described in this report was for the purpose of participating in the annual meeting of subprogram managers for the US/DOE Umbrella Agreement for Fuel, Fission Product, and Graphite Technology. At this meeting the highlights of the cooperative exchange were reviewed for the time period June 1989 through June 1990. The program continues to contribute technology in an effective way for both countries. Revision 15 of the Subprogram Plan will be issued as a result of the meeting. There was interest expressed by KFA management in the level of support received from the NPR program and in potential participation in the COMEDIE loop experiment being conducted at the CEA.

We are carrying out an integrated program of laboratory experiments, kinetics modeling, and basin thermal history modeling in order to better understand the natural breakdown of organic matter into oil and gas. Our kinetic models of organic maturation are being used to better understand the coupling of generation, cracking, expulsion, and overpressuring in both the laboratory and geologic setting. Currently we are carrying out chemical experiments and developing more efficient chemical kinetic modeling schemes to obtain a better understanding of expulsion and cracking from lean source rocks and from hydrogen-poor (terrestrial) organic source material. We verify the chemical kinetic models by integrating them with thermal history models of hydrocarbon-producing sediments and comparing predicted and observed characteristics of the hydrocarbon occurrence in a variety of settings. We intend to apply this approach to evaluate the potential for deep gas resources in the Pacific Northwest and in the Louisiana Gulf Coast. 11 refs., 4 figs.

The linac upgrade project at Fermilab will replace the last 4 drift-tube linac tanks with seven side coupled cavity strings. This will increase the beam energy from 200 to 400 MeV at injection into the Booster accelerator. The main objective of the temperature loop is to control the resonant frequency of the cavity strings. A cavity string will constant of 4 sections connected with bridge couplers driven with a 12 MW klystron at 805 MHz. Each section is a side coupled cavity chain consisting of 16 accelerating cells and 15 side coupling cells. For the linac upgrade, 7 full cavity strings will be used. A separate temperature control system is planned for each of the 28 accelerating sections, the two transition sections, and the debuncher section. The cavity strings will be tuned to resonance for full power beam loaded conditions. A separate frequency loop is planned that will sample the phase difference between a monitor placed in the end cell of each section and the rf drive. The frequency loop will control the set point for the temperature loop which will be able to maintain the resonant frequency through periods within beam or rf power. The frequency loop will need …

This report summarizes the results of the traveler's participation in the International Energy Agency (IEA) Network planning meeting for Biotechnology for the Conversion of Lignocellulosics,'' held at the Institut Francais du Petrole (IFP), Rueil-Malmaison, France. It also summarizes the results of discussions held at Aston University, Birmingham, UK, with Dr. Martin Beevers with whom the traveler is attempting to initiate a collaborative research project that will be beneficial to ongoing research programs at Oak Ridge National Laboratory (ORNL). The itinerary for the trip is given in Appendix A; the names of the people contacted are listed in Appendix B. Also, pertinent information about the Institut Francais du Petrole is attached (Appendix C). 1 tab.

The amount of data generated by CT scanners is enormous, making the reconstruction operation slow, especially for 3-D and limited-data scans requiring iterative algorithms. The Radon transform and its inverse, commonly used for CT image reconstruction from projections, are computationally burdensome for today's single-processor computer architectures. If the processing times for the forward and inverse Radon transforms were comparatively small, a large set of new CT algorithms would become feasible, especially those for 3-D and iterative tomographic image reconstructions. In addition to image reconstruction, a fast Radon Transform Computer'' could be naturally applied in other areas of multidimensional signal processing including 2-D power spectrum estimation, modeling of human perception, Hough transforms, image representation, synthetic aperture radar processing, and others. A high speed processor for this operation is likely to motivate new algorithms for general multidimensional signal processing using the Radon transform. In the proposed workshop paper, we will first describe interpolation schemes useful in computation of the discrete Radon transform and backprojection and compare their errors and hardware complexities. We then will evaluate through statistical means the fixed-point number system required to accept and generate 12-bit input and output data with acceptable error using the linear interpolation scheme selected. These …

We use a newly developed real-space multiple scattering theory (RS-MST) to calculate low-energy electron diffraction (LEED) intensities from stepped surfaces. In this calculation the electron wavefunctions are expanded in terms of an angular momentum basis, utilizing the property of removal invariance of systems with semi-infinite periodicity. This strongly reduces the dependence of the calculation on the interlayer spacing and thus opens up the possibility of treating more open surfaces. This includes in particular stepped surfaces, to which conventional methods cannot be applied. Applications of the formalism to various stepped surfaces are presented. In particular, the results for Cu(311) and (331) surfaces obtained from both the layer doubling and RS-MST methods are compared. In addition, numerical techniques which can improve the convergence as well as the speed of the RS-MST approach are discussed. 6 refs., 3 figs.