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Materials Science and Engineering Commons

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1999

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Articles 121 - 122 of 122

Full-Text Articles in Materials Science and Engineering

Integrated Computational Chemistry System For Catalysts Design, Salai Cheettu Ammal, S. Takami, M. Kubo, A. Miyamoto Jan 1999

Integrated Computational Chemistry System For Catalysts Design, Salai Cheettu Ammal, S. Takami, M. Kubo, A. Miyamoto

Faculty Publications

The understanding of valuable catalytic and adsorptive properties of heterogeneous catalysts at atomic and electronic levels is essential for the design of novel catalysts. Computer simulation studies can significantly contribute to provide a rational interpretation of the observed experimental results and suggest modification of new catalysts. Our recent work on the application of integrated computer simulation methods to investigate the structure and catalytic properties of solid surfaces including zeolites, transition metals and their oxides have been reviewed in this paper. We have emphasized the effectivity and applicability of integrated computer simulation system to solve the problems in a variety of …


Mössbauer Effect Determination Of Relative Recoilless Fractions For Iron Oxides, Sei J. Oh, Desmond C. Cook Jan 1999

Mössbauer Effect Determination Of Relative Recoilless Fractions For Iron Oxides, Sei J. Oh, Desmond C. Cook

Physics Faculty Publications

The relative recoilless fraction (F-value) of each of six iron oxides, defined as the ratio of the recoil-free fractions of two different materials, was experimentally determined relative to hematite at 300 K and 77 K by Mössbauer spectroscopy. Using the relative recoil-free fractions compared to that of hematite, the relative recoilless fractions between all pairs of the seven iron oxides were determined. The F-values can allow conversion of Mössbauer subspectral areas to the relative atomic, molecular, or weight fractions of each iron oxide present in a mixed oxide phase sample.