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The lithium silicates have attracted scientific interest due to their potential use as high-temperature sorbents for CO{sub 2} capture. The electronic properties and thermodynamic stabilities of lithium silicates with different Li{sub 2}O/SiO{sub 2} ratios (Li{sub 2}O, Li{sub 8}SiO{sub 6}, Li{sub 4}SiO{sub 4}, Li{sub 6}Si{sub 2}O{sub 7}, Li{sub 2}SiO{sub 3}, Li{sub 2}Si{sub 2}O{sub 5}, Li{sub 2}Si{sub 3}O{sub 7}, and a-SiO{sub 2}) have been investigated by combining first-principles density functional theory with lattice phonon dynamics. All these lithium silicates examined are insulators with band-gaps larger than 4.5 eV. By decreasing the Li{sub 2}O/SiO{sub 2} ratio, the first valence bandwidth of the corresponding lithium silicate increases. Additionally, by decreasing the Li{sub 2}O/SiO{sub 2} ratio, the vibrational frequencies of the corresponding lithium silicates shift to higher frequencies. Based on the calculated energetic information, their CO{sub 2} absorption capabilities were extensively analyzed through thermodynamic investigations on these absorption reactions. We found that by increasing the Li{sub 2}O/SiO{sub 2} ratio when going from Li{sub 2}Si{sub 3}O{sub 7} to Li{sub 8}SiO{sub 6}, the corresponding lithium silicates have higher CO{sub 2} capture capacity, higher turnover temperatures and heats of reaction, and require higher energy inputs for regeneration. Based on our experimentally measured isotherms of the CO{sub 2} chemisorption …

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The DOE SciDAC program funded a team that developed PFLOTRAN, the next-generation (‘peta-scale’) massively parallel, multiphase, multicomponent reactive flow and transport code. These codes are required to improve understanding and risk management of subsurface contaminant migration and geological sequestration of carbon dioxide. The important fate and transport processes occurring in the subsurface span a wide range of spatial and temporal scales, and involve nonlinear interactions among many different chemical constituents. Due to the complexity of this problem, modeling subsurface processes normally requires simplifying assumptions. However, tools of advanced scientific computing that have been used in other areas such as energy and materials research can also help address challenging problems in the environmental and geoscience fields. The overall project was led by Los Alamos National Laboratory and included Argonne, Oak Ridge and Pacific Northwest National Laboratories, in addition to the University of Illinois. This report summarizes the results of the research done at the University of Illinois, which focused on improvements to the underlying physical and computational modeling of certain transport and mixing processes.

Glycolic acid is being evaluated as an alternative for formic and nitric acid in the DWPF flowsheet. Demonstration testing and modeling for this new flowsheet has shown that glycolic acid and glycolate has a potential to remain in certain streams generated during the production of the nuclear waste glass. A literature review was conducted to assess the impact of glycolic acid on the corrosion of the materials of construction for the DWPF facility as well as facilities downstream which may have residual glycolic acid and glycolates present. The literature data was limited to solutions containing principally glycolic acid. The reported corrosion rates and degradation characteristics have shown the following for the materials of construction.  For C276 alloy, the primary material of construction for the CPC vessels, corrosion rates of either 2 or 20 mpy were reported up to a temperature of 93 C.  For the austenitic stainless steels, 304L and 316L, variable rates were reported over a range of temperatures, varying from 2 mpy up to 200 mpy (at 100 C).  For 690, G30, Allcorr, Ultimet and Stellite alloys no data were available.  For relevant polymers where data are available, the data suggests that exposure to …

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The Model 9977 Packaging was initially issued a Certificate of Compliance (CoC) by the Department of Energy’s Office of Environmental Management (DOE-EM) for the transportation of radioactive material (RAM) in the Fall of 2007. This first CoC was for a single radioactive material and two packing configurations. In the five years since that time, seven Addendums have been written to the Safety Analysis Report for Packaging (SARP) and five Letter Amendments have been written that have authorized either new RAM contents or packing configurations, or both. This paper will discuss the process of updating the 9977 SARP to include all the contents and configurations, including the addition of a new content, and its submittal for recertification.

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We have used images and spectra of the Sloan Digital Sky Survey to examine the host galaxies of 519 nearby supernovae. The colors at the sites of the explosions, as well as chemical abundances, and specific star formation rates of the host galaxies provide circumstantial evidence on the origin of each supernova type. We examine separately SN II, SN IIn, SN IIb, SN Ib, SN Ic, and SN Ic with broad lines (SN Ic-BL). For host galaxies that have multiple spectroscopic fibers, we select the fiber with host radial offset most similar to that of the SN. Type Ic SN explode at small host offsets, and their hosts have exceptionally strongly star-forming, metal-rich, and dusty stellar populations near their centers. The SN Ic-BL and SN IIb explode in exceptionally blue locations, and, in our sample, we find that the host spectra for SN Ic-BL show lower average oxygen abundances than those for SN Ic. SN IIb host fiber spectra are also more metal-poor than those for SN Ib, although a significant difference exists for only one of two strong-line diagnostics. SN Ic-BL host galaxy emission lines show strong central specific star formation rates. In contrast, we find no strong evidence …

The compatibility of aluminum and aluminum alloys with synthetic fuel blends comprised of ethanol and reference fuel C (a 50/50 mix of toluene and iso-octane) was examined as a function of water content and temperature. Commercially pure wrought aluminum and several cast aluminum alloys were observed to be similarly susceptible to substantial corrosion in dry (< 50 ppm water) ethanol. Corrosion rates of all the aluminum materials examined were accelerated by increased temperature and ethanol content in the fuel mixture, but inhibited by increased water content. Pretreatments designed to stabilize passive films on aluminum increased the incubation time for onset of corrosion, suggesting film stability is a significant factor in the mechanism of corrosion.

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Over the past decade, a new family of homogeneous metathesis catalysts has been developed that will tolerate most organic functionalities as well as water and air. These homogeneous catalysts are finding numerous applications in the pharmaceutical industry as well as in the production of functional polymers. In addition the catalysts are being used to convert seed oils into products that can substitute for those that are now made from petroleum products. Seed oils are unsaturated, contain double bonds, and are a ready source of linear hydrocarbon fragments that are specifically functionalized. To increase the number of applications in the area of biomaterial conversion to petrol chemicals, the activity and efficiency of the catalysts need to be as high as possible. The higher the efficiency of the catalysts, the lower the cost of the conversion and a larger number of practical applications become available. Active supported catalysts were prepared and tested in the conversion of seed oils and other important starting materials. The outcome of the work was successful and the technology has been transferred to a commercial operation to develop viable applications of the discovered systems. A biorefinery that converts seed oils is under construction in Indonesia. The catalysts developed …

This report summarizes the activities undertaken by EWI while under contract from the Department of Energy (DOE) – Office of Nuclear Energy (NE) for the management and operation of the Nuclear Fabrication Consortium (NFC). The NFC was established by EWI to independently develop, evaluate, and deploy fabrication approaches and data that support the re-establishment of the U.S. nuclear industry: ensuring that the supply chain will be competitive on a global stage, enabling more cost-effective and reliable nuclear power in a carbon constrained environment. The NFC provided a forum for member original equipment manufactures (OEM), fabricators, manufacturers, and materials suppliers to effectively engage with each other and rebuild the capacity of this supply chain by : • Identifying and removing impediments to the implementation of new construction and fabrication techniques and approaches for nuclear equipment, including system components and nuclear plants. • Providing and facilitating detailed scientific-based studies on new approaches and technologies that will have positive impacts on the cost of building of nuclear plants. • Analyzing and disseminating information about future nuclear fabrication technologies and how they could impact the North American and the International Nuclear Marketplace. • Facilitating dialog and initiate alignment among fabricators, owners, trade associations, and …

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