A number basic sorbents based on CaO were synthesized, characterized with novel techniques and tested for sorption of CO{sub 2} and selected gas mixtures simulating flue gas from coal fired boilers. Our studies resulted in highly promising sorbents which demonstrated zero affinity for N{sub 2}, O{sub 2}, SO{sub 2}, and NO very low affinity for water, ultrahigh CO{sub 2} sorption capacities, and rapid sorption characteristics, CO{sub 2} sorption at a very wide temperature range, durability, and low synthesis cost. One of the 'key' characteristics of the proposed materials is the fact that we can control very accurately their basicity (optimum number of basic sites of the appropriate strength) which allows for the selective chemisorption of CO{sub 2} at a wide range of temperatures. These unique characteristics of this family of sorbents offer high promise for development of advanced industrial sorbents for the effective CO{sub 2} removal.

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A508 Gr 4N has improved fracture toughness because of the addition of 3% nickel, compared to typical low alloy steels which have less than 1% nickel. However, there is an expectation in much of the recent literature, based mostly on low-alloy steels with nickel below 1%, that irradiation embrittlement will increase with increasing nickel (Ni) content. In contrast, the raw irradiation test data show that ASTM A508 Grade 4N containing up to 3.7% nickel, 0.1% Cu and 0.01% P does not show enhanced irradiation embrittlement. A simple statistical fit to irradiation dose and irradiation temperature was developed to make direct comparisons to other low-alloy steels. Since the A508 Gr 4N data showed little discernible effect of Cu in the raw data, the damage may be classified as 'matrix' damage. The peak irradiation embrittlement of A508 Gr 4N is no greater than that of A508 Gr 2, a 0.7% Ni forging material tested under similar conditions with similar limits on Cu and P. At high dose (80 mdpa) the average embrittlement of A508 Gr 4N is slightly higher (33%) than the lower nickel materials. This trend also occurs for low copper A533B and A302B plate material. The irradiation temperature dependence of …

This paper highlights the results of initial investigations conducted to support the development of an integrated treatment process to convert pyrophoric metallic uranium wastes to a non-pyrophoric waste that is acceptable for land disposal. Several dissolution systems were evaluated to determine their suitability to dissolve uranium metal and that yield a final waste form containing uranium specie(s) amenable to precipitation, stabilization, adsorption, or ion exchange. During initial studies, one gram aliquots of uranium metal or the uranium alloy U-2%Mo were treated with 5 to 60 mL of selected reagents. Treatment systems screened included acids, acid mixtures, and bases with and without addition of oxidants. Reagents used included hydrochloric, sulfuric, nitric, and phosphoric acids, sodium hypochlorite, sodium hydroxide and hydrogen peroxide. Complete dissolution of the uranium turnings was achieved with the H{sub 3}PO{sub 4}/HCI system at room temperature within minutes. The sodium hydroxide/hydrogen peroxide, and sodium hypochlorite systems achieved complete dissolution but required elevated temperatures and longer reaction times. A ranking system based on criteria, such as corrosiveness, temperature, dissolution time, off-gas type and amount, and liquid to solid ratio, was designed to determine the treatment systems that should be developed further for a full-scale process. The highest-ranking systems, nitric acid/sulfuric …

A new computer program, the SX Solver, has been developed to analyze solvent-extraction equilibria. The program operates out of Microsoft Excel and uses the built-in Solver function to minimize the sum of the square of the residuals between measured and calculated distribution coefficients. The extraction of nitric acid by tributyl phosphate has been modeled to illustrate the programs use.

In this study a respirometer is tested for its ability to act as an early upset warning device and whole effluent toxicity monitor for industrial discharge. Industrial discharge water quality is commonly evaluated by comparing measured chemical concentrations to target values or regulatory limits established by governmental agencies. Unless the regulatory values are based upon empirical data, the actual effect of the discharge on aquatic systems is unknown. At the same time assessing the environmental toxicology of wastewater discharges is complicated by synergistic relationships among chemical constituents producing greater total toxicity. For example, metals may be more toxic in waters with low total hardness or more soluble at lower pH. An alternative approach that we are investigating is whole effluent toxicity testing. This study investigates the measurement of whole effluent toxicity through an on-line respirometer that measures toxicity to microorganisms comprising activated sludge. In this approach the oxygen uptake rate is monitored and used as an indicator of microbial activity or health. This study investigates the use of an online whole effluent toxicity testing system to provide early upset warning and the consistency of measured response to low pH. Repeated exposure of the microorganisms to low pH results in reduced …

A paradigm is developed for generating structured finite element models from solid models by means of implicit surface definitions. The implicit surfaces are defined by radial basis functions. Internal features, such as material interfaces, sliding interfaces and cracks are treated by enrichment techniques developed in the extended finite element method (X-FEM). Methods for integrating the weak form for such models are proposed. These methods simplify the generation of finite element models. Results presented for several examples show that the accuracy of this method is comparable to standard unstructured finite element methods.

A swift ion creates a track of electronic excitations in the target material. A net repulsion inside the track can cause a ''Coulomb Explosion'', which can lead to damage and sputtering of the material. Here we report results from molecular-dynamics (MD) simulations of Coulomb explosion for a cylindrical track as a function of charge density and neutralization/quenching time, {tau}. Screening by the free electrons is accounted for using a screened Coulomb potential for the interaction among charges. The yield exhibits a prompt component from the track core and a component, which dominates at higher excitation density, from the heated region produced. For the cases studied, the number of atoms ejected per incident ion, i.e. the sputtering yield Y, is quadratic with charge density along the track as suggested by simple models. Y({tau} = 0.2 Debye periods) is nearly 20% of the yield when there is no neutralization ({tau} {yields} {infinity}). The connections between ''Coulomb explosions'', thermal spikes and measurements of electronic sputtering are discussed.

It is peculiar that in situ hybridization (ISH), a technique with many similarities to immunohistochemistry (IHC), has not enjoyed the phenomenal growth in both basic research and clinical applications as has its sister technique IHC. Since the late 1970s, when immunoperoxidase techniques began to be applied to routine diagnostic material and to numerous research applications, there has been a natural evolution of the IHC procedure. Namely, only a few primary antibodies were available commercially at the onset, and only one indirect and the peroxidase-antiperoxidase (PAP) technique detection systems were in place. With the advent of avidin-biotin detection systems and monoclonal antibodies, and a viable commercial market, extraordinary growth of the procedure's applications in clinical research and diagnostic pathology occurred during the subsequent two decades. Today, IHC is automated and widely used for research purposes and, to a large extent, has become a routine diagnostic ''special stain'' in most clinical laboratories. During the same period, ISH enjoyed very little growth in both research and diagnostic applications. What has accounted for this lack of maturation of the technique? The success of IHC is part of the reason measuring a gene's encoded protein routinely and inexpensively, particularly as automation evolved, rendered IHC a …

These proceedings contain papers prepared for the 24th Seismic Research Review: Nuclear Explosion Monitoring: Innovation and Integration, held 17-19 September, 2002 in Ponte Vedra Beach, Florida. These papers represent the combined research related to ground-based nuclear explosion monitoring funded by the National Nuclear Security Administration (NNSA), Defense Threat Reduction Agency (DTRA), and other invited sponsors. The scientific objectives of the research are to improve the United States capability to detect, locate, and identify nuclear explosions. The purpose of the meeting is to provide the sponsoring agencies, as well as potential users, an opportunity to review research accomplished during the preceding year and to discuss areas of investigation for the coming year. For the researchers, it provides a forum for the exchange of scientific information toward achieving program goals, and an opportunity to discuss results and future plans. Paper topics include: seismic regionalization and calibration; detection and location of sources; wave propagation from source to receiver; the nature of seismic sources, including mining practices; hydroacoustic, infrasound, and radionuclide methods; on-site inspection; and data processing.

The effect of an individual's travels throughout a day on the spread of disease is examined using a deterministic SIR model. We determine which spatial and demographic characteristics most contribute to the disease spread and whether the progression of the disease can be slowed by appropriate vaccination of people belonging to a specific location-type.

The objective of the research is to analyze pathways of reactions of hydrogen with oxides of carbon over sulfides, and to predict which characteristics of the sulfide catalyst (nature of metal, defect structure) give rise to the lowest barriers toward oxygenated hydrocarbon product. Reversal of these pathways entails the generation of hydrogen, which is also proposed for study. In this first year of study, adsorption reactions of H atoms and H{sub 2} molecules with MoS{sub 2}, both in molecular and solid form, have been modeled using high-level density functional theory. The geometries and strengths of the adsorption sites are described and the methods used in the study are described. An exposed MO{sup IV} species modeled as a bent MoS{sub 2} molecule is capable of homopolar dissociative chemisorption of H{sub 2} into a dihydride S{sub 2}MoH{sub 2}. Among the periodic edge structures of hexagonal MoS{sub 2}, the (1{bar 2}11) edge is most stable but still capable of dissociating H{sub 2}, while the basal plane (0001) is not. A challenging task of theoretically accounting for weak bonding of MoS{sub 2} sheets across the Van der Waals gap has been addressed, resulting in a weak attraction of 0.028 eV/MoS{sub 2} unit, compared to …

A new technique for removal of elemental mercury from emissions of coal-fired utilities was investigated. The key idea is to selectively photo ionize the mercury atoms. A strong electric field gradient then drags them to the negative plate where they can be collected and removed.

Hot-pressed silicon carbide, containing aluminum, boron, and carbon additives (ABC-SiC), was subjected to three-body and two-body wear testing using diamond abrasives over a range of sizes. In general, the wear resistance of ABC-SiC, with suitable heat treatment, was superior to that of commercial SiC.

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Particulate matter collected aboard the University of Washington's Convair-580 research aircraft over southern Africa during the dry, biomass burning season was analyzed for total carbon, organic carbon, and black carbon contents using thermal and optical methods. Samples were collected in smoke plumes of burning savanna and in regional haze. A known artifact, produced by the adsorption of organic gases on the quartz filter substrates used to collect the particulate matter samples, comprised a significant portion of the total carbon collected. Consequently, conclusions derived from the data are greatly dependent on whether or not organic carbon concentrations are corrected for this artifact. For example, the estimated aerosol co-albedo (1 - single scattering albedo), which is a measure of aerosol absorption, of the biomass smoke samples is 60 percent larger using corrected organic carbon concentrations. Thus, the corrected data imply that the biomass smoke is 60 percent more absorbing than do the uncorrected data. The black carbon to (corrected) organic carbon mass ratio (BC/OC) of smoke plume samples (0.18/2610.06) is lower than that of samples collected in the regional haze (0.25/2610.08). The difference may be due to mixing of biomass smoke with background air characterized by a higher BC/OC ratio. A simple …

To address the chemical sensing needs of DOE, a new class of chemical sensors is being developed that enables qualitative and quantitative, remote, real-time, optical diagnostics of chemical species in hazardous gas, liquid, and semi-solid phases by employing evanescent wave cavity ringdown spectroscopy (EW-CRDS). The sensitivity of EW-CRDS was demonstrated previously under Project No.60231. The objective of this project is to enhance the range of application and selectivity of the technique by combining EW-CRDS with refractive-index-sensitive nanoparticle optics, molecular recognition (MR) chemistry, and by utilizing the polarization-dependence of EW-CRDS. Research Progress and Implications

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Buildings often do not perform as well in practice as expected during pre-design planning, nor as intended at the design stage, nor even as measured during commissioning and maintenance operations. While this statement is generally considered to be true, it is difficult to quantify the impacts and long-term economic implications of a building in which performance does not meet expectations. This leads to a building process that is devoid of quantitative feedback that could be used to detect and correct problems both in an individual building and in the building process itself. A key element in this situation is the lack of a standardized method for documenting and communicating information about the intended and actual performance of a building. This deficiency leads to several shortcomings in the life-cycle management of building information. Planners have no means of clearly specifying their expectations. Designers do not concisely document their design intent. Commissioning personnel have no standardized method for documenting the results of performance testing. Post-occupancy building performance cannot readily be compared to expectations in an attempt to evaluate and improve design and operation decisions. Lastly, without quantification of the magnitude of performance problems it is difficult to motivate building process participants to …

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This effort will provide a technical basis to assure safe and efficient system operation of the melt-dilute process and have general applicability to off-gas streams.

Most existing computer codes for modeling environmental pathways were developed to satisfy a specific objective (e.g., perform analyses to demonstrate regulatory compliance). Over time, the codes have been written in various computer languages and software environments that are often not compatible with each other. In recent years, largely driven by advances in industrial software, a new concept for software development based on modularization has emerged. This approach entails the development of common modules or components that can be shared by and used in different applications that have certain common needs. Although modularization promises advantages over the traditional approach, a number of issues must be fully addressed and resolved before the approach can be accepted as a new paradigm for environmental modeling. This paper discusses these issues, provides demonstrations of open integration techniques, and provides recommendations and a course of action for future development.

Solute segregation to ceramic grain boundaries governs material processing and microstructure evolution, and can strongly influence material properties critical to engineering performance. Understanding the evolution and implications of grain boundary chemistry is a vital component in the greater effort to engineer ceramics with controlled microstructures. This study examines solute segregation to engineered grain boundaries in titanium-doped sapphire (Al2O3) bicrystals, and explores relationships between grain boundary structure and chemistry at the nanometer scale using spectroscopic and imaging techniques in the transmission electron microscope (TEM). Results demonstrate dramatic changes in solute segregation stemming from small fluctuations in grain boundary plane and structure. Titanium and silicon solute species exhibit strong tendencies to segregate to non-basal and basal grain boundary planes, respectively. Evidence suggests that grain boundary faceting occurs in low-angle twis t boundaries to accommodate nonequilibrium solute segregation related to slow specimen cooling rates, while faceting of tilt grain boundaries often occurs to expose special planes of the coincidence site lattice (CSL). Moreover, quantitative analysis of grain boundary chemistry indicates preferential segregation of charged defects to grain boundary dislocations. These results offer direct proof that static dislocations in ionic materials can assume a net charge, and emphasize the importance of interactions between charged …

Molecular, phospholipid fatty acid analysis (PLFA), and substrate utilization (BIOLOG) techniques were used to assess structural and functional differences between microbial communities from a chlorinated-ethene (CE)-contaminated groundwater at a sanitary landfill. The information will be used to evaluate natural attenuation of the associated CE plume. Two groundwater-monitoring wells were tested.