Increased demand for liquid transportation fuels coupled with gradual depletion of oil reserves and volatile petroleum prices have recently renewed interest in coal-to-liquids (CTL) technologies. Large recoverable global coal reserves can provide liquid fuels and significantly reduce dependence on oil imports. Direct coal liquefaction (DCL) converts solid coal (H/C ratio z 0.8) to liquid fuels (H/C ratio z 2) by adding hydrogen at high temperature and pressures in the presence or absence of catalyst. This review provides a comprehensive literature survey of the coal structure, chemistry and catalysis involved in direct liquefaction of coal. This report also touches briefly on the historical development and current status of DCL technologies. Key issues, challenges involved in DCL process and directions for the future research are also addressed.
Metal membranes play a vital role in hydrogen purification. Defect-free membranes can exhibit effectively infinite selectivity but must also provide high fluxes, resistance to poisoning, long operational lifetimes, and low cost. Alloying offers one route to improve on membranes based on pure metals such as palladium. We show how ab initio calculations and coarse-grained modeling can accurately predict hydrogen fluxes through binary alloy membranes as functions of alloy composition, temperature, and pressure. Our approach, which requires no experimental input apart from knowledge of bulk crystal structures, is demonstrated for palladium-copper alloys, which show nontrivial behavior due to the existence of face-centered cubic and body-centered cubic crystal structures and have the potential to resist sulfur poisoning. The accuracy of our approach is examined by a comparison with extensive experiments using thick foils at elevated temperatures. Our experiments also demonstrate the ability of these membranes to resist poisoning by hydrogen sulfide.
A high throughput methodology for the study of surface segregation in alloys has been developed and applied to the Cu x Pd 1Àx system. A novel offsetfilament deposition tool was used to prepare Cu x Pd 1Àx composition spread alloy films (CSAFs), high throughput sample libraries with continuous lateral composition variation spanning the range x = 0.05À0.95. Spatially resolved low energy ion scattering spectroscopy (LEISS) and X-ray photoelectron spectroscopy (XPS) were used to characterize the films' top-surface and near-surface compositions, respectively, as functions of alloy composition, x, and temperature. Electron backscatter diffraction (EBSD) was used to identify the bulk phases in the CSAF as a function of alloy composition, x. Films equilibrated by annealing at temperatures g 700 K displayed preferential segregation of Cu to their top-surfaces at all bulk compositions; segregation patterns did not, however, depend on local structure. The LangmuirÀMcLean thermodynamic model was applied to segregation measurements made in the temperature range 700À900 K in order to estimate the enthalpy (ΔH seg ) and entropy (ΔS seg ) of segregation as a function of bulk Cu x Pd 1Àx composition. Segregation measurements at x = 0.30 on the CSAF compare well with results previously reported for a bulk, polycrystalline Cu 0.30 Pd 0.70 alloy, demonstrating the utility of the CSAF as a high throughput library for study of segregation.
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