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Fluorinated Dodecaphenylporphyrins: Synthetic and Electrochemical Studies Including the First Evidence of Intramolecular Electron Transfer Between an Fe(II) Porphyrin -Anion Radical and an Fe(I) Porphyrin
No full textDodecaphenylporphyrins with varying degrees of fluorination of the peripheral phenyl rings (FXDPPS) were synthesized as model compounds for studying electronic effects in nonplan~ porphyrins, and detailed electrochemical studies of the chloroiron(HI) complexes of these compounds were undertaken. The series of porphyrins, represented as FeDPPCl and as FeFXDPPCl where x = 4, 8 (two isomers), 12, 20,28 or 36, could be reversibly oxidized by two electrons in dichloromethane to give n-cation radicals and n-dications. All of the compounds investigated could also be reduced by three electrons in benzonitrile or pyridine. In benzonitrile, three reversible reductions were observed for the unfluorinated compound FeDPPC1, whereas the FeFXDPPCl complexes generally exhibited irreversible first and second reductions which were coupled to chemical reactions. The chemical reaction associated with the first reduction involved a loss of the chloride ion after generation of Fe FXDPPC1. The second chemical reaction involved a novel intramolecular electron transfer between the initially generated Fe(H) porphyrin n-anion radical and the final Fe(I) porphyrin reduction product. In pyridine, three reversible one electron reductions were observed with the second reduction affording stable Fe(II) porphyrin o - anion radicals for ail of the complexes investigated
Preliminary Risk Assessment of the Southwestern Willow Flycatcher (Empidonax traillii extimus) at the Los Alamos National Laboratory
No full textThe southwestern willow flycatcher (Empidonax traillii extimus) is the fourth threatened or endangered species to undergo a preliminary assessment for estimating potential risk from environmental contaminants at the Los Alamos National Laboratory. The assessments are being conducted as part of a three-year project to develop a habitat management plan for threatened and endangered species and species of concern at the Laboratory. For the preliminary assessment, estimated doses were compared against toxicity reference values to generate hazard indices (HIs). This assessment included a measure of cumulative effects from multiple contaminants (radionuclides, metals, and organic chemicals) to 100 simulated nest sites located within flycatcher potential habitat. Sources of contaminant values were 10,000-ft{sup 2} grid cells within an Ecological Exposure Unit (EEU). This EEU was estimated around the potential habitat and was based on the maximum home range for the fly catcher identified in the scientific literature. The tools used included a custom FORTRAN program, ECORSK5, and a geographic information system. Food consumption and soil ingestion contaminant pathways were addressed in the assessment. Using a four-category risk evaluation, HI results indicate no appreciable impact is expected to the southwestern willow flycatcher. Information on risk by specific geographical location was generated, which can be used to manage contaminated areas, flycatcher habitat, facility siting, and/or facility operations in order to maintain low levels of risk from contaminants
Rational Solutions for Challenges of the New Mellennium
No full textWe have reviewed ten major public problems challenging our Nation as it enters the new millennium. These are defense, healthcare costs, education, aging population, energy and environment, crime, low productivity growth services, income distribution, regulations, and infrastructure. These problems share several features. First, each is so large, if it were soIved; it would have major impact on the U.S. economy. Second, each is resident in a socioeconomic system containing non-linear feedback loops and an adaptive human element. Third, each can only be solved by our political system, yet these problems are not responsive to piecemeal problem solving, the approach traditionally used by policy makers. However, unless each problem is addressed in the context of the system in which it resides, the solution maybe worse than the problem. Our political system is immersed in reams of disconnected, unintelligible information skewed by various special interests to suggest policies favoring their particular needs. Help is needed, if rational solutions that serve public interests are to be forged for these ten probIems, The simulation and modeIing tools of physical scientists, engineers, economists, social scientists, public policy experts, and others, bolstered by the recent explosive growth in massively parallel computing power, must be blended together to synthesize models of the complex systems in which these problems are resident. These models must simulate the seemingly chaotic human element inherent in these systems and support policymakers in making informed decKlons about the future. We propose altering the policy development process by incorporating more modeling, simulation and analysis to bring about a revolution in policy making that takes advantage of the revolution in engineering emerging from simulation and modeling. While we recommend major research efforts to address each of these problems, we also observe these to be very complex, highly interdependent, multi-disciplinary problems; it will challenge the U.S. community of individual investigator researchers to make the cultural transformation necessary to address these problems in a team environment. Furthermore, models that simulate future behavior of these complex systems will not be exacq therefore, researchers must be prepared to use the modeling and simulation tools they develop to propose experiments to Congress. We recommend that ten laboratories owned by the American public be selected in an interagency competition to each manage and host a $1 billion/yertr National effort, each focused on one of these ten problems. Much of the supporting research and subsystem modeling work will be conducted at U.S. universities and at private firms with relevant expertise. Success of the Manhattan Project at the middle of the 20th century provides evidence this leadership model works
Effects of Spatially Heterogeneous Porosity on Matrix-Diffusion as Investigated by X ray Absorption Imaging
No full textLaboratory experiments were performed to investigate the effects of spatial variation in porosity on matrix-diffusion processes. Four centimeter-scale slabs of Culebra dolomite taken from the Waste Isolation Pilot Plant site were used in the tests. Experiments involved the simple diffusion of iodine into a single edge of each rock slab while X ray absorption imaging was used to measure the resulting two-dmensional solute concentration field as a function of time. X ray imaging was also used to quantify the two-dimensional porosity field of each rock slab. Image analysis provided a unique opportunity to both visuake and quantifj the effects of the spatially variable porosi~ on matrixdMusion. Four key results were obtained. First, significant variation in rates of diffusion were realized over the relatively small length (centimeter) and time scales (months) investigated. Second, clear evidence of diffusion preferentially following zones of relatively higher porosity was noted. Third, rate of difhion was found to vary as tracer diffused into the rock slabs encountering changing porosity conditions. Fourth, strong correlation between porosi~ and the calculated diffusion coefficients was found. In fact, the nature of the correlation can be related to the geometry, position, and orientation of the heterogeneous porosity features populating each rock slab
Proceedings of US/Japan Workshop (97FT5-06) on High Heat Flux Components and Plasma Surface Interactions for Next Fusion Devices
No full textNo abstract prepared
Quarterly Progress Report
No full textThe Federal Energy Technology Center (FETC) at Pittsburgh contracted with the MJTRE Corporation to perform Research Guidance Studies that will assist the Center and other relevant offices in the Department of Energy in evaluating and prioritizing research in the areas of coal and natural gas conversion. MITRE was reorganized in December 1995, which resulted in the formation of Mitretek Systems Inc. Mitretek has been performing this work on MITRE's behalf awaiting completion of contract novation to Mitretek. The contract was novated in February 1998 to Mitretek Systems. The overall objectives of this contract are to provide support to DOE in the following areas: (1) technical and economic analyses of current and future coal-based energy conversion technologies and other similar emerging technologies such as coal-waste coprocessing, natural gas conversion, and biomass conversion technologies for the production of fuels, chemicals and electric power,(2) monitor progress in these technologies with respect to technical, economic, and environmental impact (including climate change), (3) conduct specific and generic project economic and technical feasibility studies based on these technologies, (4) identify long-range R&D areas that have the greatest potential for process improvements, and (5) investigate optimum configurations and associated costs for production of high quality energy products via refining and their performance in end-use applications
Rheological Properties of Defense Waste processing Facility Melter Feeds
No full textIn the present investigation, viscosity measurements have been carried out for two types of simulated Defense waste slurries, a Savannah River slurry and a Hanford slurry. The measurements were conducted in two experimental options. A rotational viscometer was used to measure viscosity under well-defined temperature and pH value operating conditions. The solids concentration used for this option was lower than 15 wt.%. Both the slurries have been investigated using this experimental option. The Savannah River slurry has also been investigated in a pipeline flow system, which measured the pressure drop as the slurry flowed through the pipe. The slurry's viscosity can be extracted from the pressure drop information. These investigations have been performed in relatively wide parameter ranges. The solids concentration of the slurry tested in the pipeline system was as high as 25 wt.%.The slurry pH in both experimental options covered a range of 4 to 13.5. The highest operating temperature was 66 C for the rotational viscometer and 55 C for the pipeline system. In FY97, the experiments for the Hanford slurry in the pipeline system will be performed
Report of Flood, Oil Sheen, and fish Kill Incidents on East Fork Poplar Creek at the Oak Ridge Y-12 Plant
No full textWater quality and plant opemtion irriiormation provided by the Y-12 Plant strongly suggest that a dechlorinating agent, applied to the raw water released below the North-South Pipes was responsible for the toxicity resulting in the fish kill of July 24. Dissolved oxygen (DO) measurements in upper EFPC indicai e that low oxygen levels (3-5 ppm) occurred for a period of up to 30 min. This slug of low DO water traveling down EFPC to the lake could easily explain the massive fish kill and the resulting observations. Dissolved oxygen levels of 5.2 ppm or lower are documented as causing problems for warmwater fish species (Heath 1995). The presence of other stressors, including a range of petrochemicals, tends to lower resistance to low oxygen conditions. Given the sequence of events in upper EFPC in the few days prior to July 24, where extremely high flows were followed by inputs of a wide range of low concentrations of oils, the sensitivity to low DO conditions might be heightened. The possible toxic impact of ::he oils and other contaminants reaching EFPC as a result of the heavy rainfidl on July 22 doesn't appear significant enough to be the sole cause of the kill on July 24. Even during the height of the kill, a large school of fish remained immediately downstream of the North-South Pipes. If the toxicity of waters flowing through this outlet were the primary cause of the kill, then it would be expected that this school of fish would not have been present immediately below the pipes. Any impact of waters entering from other sources, such as pumping of basements WOUIC1 have produced a staggered pattern of mortality, with fishing dying in different localities at different times and rates. Further, it would be expected that the morta.lhy observed would have continued over several days at least, as more resistant individuals succumbed slowly to the toxic exposure. This would have provided freshly dead or dying fish for the surveys of July 25 and 28. In previous fish kills in this stream section, the impact on the fish community has been judged to be short-term only, with no significant long-term ecological effects. In fact, the numerous fish kills over the past 7 years do not appear to have dampened the growth of the stream fish populations. The magnit~de of these kills was far less than that of the July 24 kill; maximum mortality of 10-20o/0 of th{~ total population above Lake Reality. Because the current kill has tiected a much larger proportion of the resident population, the impacts are expected to extend for a longer period in this situation, perhaps up to a year. Decreased population levels should be evident through the fhll 1997 and spring 1998 samples. Depending on the success rate of reproduction during the summer cf 1998, the recovery of fish populations should be observed in the fdl 1998 population sample. However, complete recovery may take several reproductive seasons to reach the densities seen in 1997. The cyprinid species occurring in upper EFPC have tremendous reproductive capacities and should be able to repopulate this area with little or no long-term ecological impact. Even the redbreast sunfish should, at the worst, only endure a narrowing of its available gene pool, with little if any long-term impacts