Alkylation of Benzene with Ethene over H-ZSM-5 – A Multiscale Investigation
Niels Hansen1, Till Brüggemann1, Rajamani Krishna2, Jasper M. Van Baten2, Frerich J. Keil1 and Alexis T. Bell3, (1)Department of Chemical Engineering, Hamburg University of Technology, Eissendorfer Str. 38, Hamburg, 21073, Germany, (2)Van't Hoff Institute for Molecular Sciences, University of Amsterdam, Nieuwe Achtergracht 166, Amsterdam, 1018 WV, Netherlands, (3)University of California, Berkeley, Department of Chemical Engineering, 107 Gilman Hall, Berkeley, CA 94720 |
Catalytic Ethanol Decomposition: An Example for Reducing Brute-Force DFT Work for Surface Reactivity by Combining BEP and Scaling Relations
Peter A. Ferrin1, Dante Simonetti1, Shampa Kandoi1, James A. Dumesic1, Jens K. Norskov2 and Manos Mavrikakis1, (1)Chemical and Biological Engineering, University of Wisconsin-Madison, 1415 Engineering Drive, Madison, WI 53706, (2)Center for Atomic-scale Materials Physics, Dept. of Physics, Technical University of Denmark, Lyngby, Denmark |
Selective Hydrogenation of the Oxygenates : The Influence of the Nature of the Solvent
Nishant K. Sinha, Chemical Engineering, University of Virginia, 102 Engineers Way, Charlottesville, VA 22904 and Matthew Neurock, Chemical Engineering, University of Virginia, 102 Engineers' Way, PO Box 400741, Charlottesville, VA 22904 |
Structure Characteristics of Hydration Layer Confined to Slab Geometry of Rutile(110)
Xin Feng1, Mingjie Wei1, Qing Shao1, Linghong Lu1 and Xiaohua Lu2, (1)Nanjing University of Technology, Nanjing, 210009, China, (2)State Key Laboratory of Materials-oriented Chemical Engineering, Nanjing University of Technology, Xinmofan Road 5#, Nanjing, China |
Relating the Electronic Structure of the Oxide Support to the Chemical Activity of Au/oxide Catalysts: A First Principles Study
Siris Laursen, Department of Chemical Engineering, University of Michigan, 2300 Hayward, Ann Arbor, MI 48109-2125 and Suljo Linic, Chemical Engineering, University of Michigan, 2300 Hayward, Ann Arbor, MI 48109-2125 |
Theoretical Study of Propane, Dioxygen and Ammonia Activation Over Cluster Models of the Surface ab Planes of Mo-V-Te-Nb-O M1 Phase Catalyst
Agalya Govindasamy, Yaroslav Kapustin and Vadim V Guliants, Department of Chemical and Materials Engineering, University of Cincinnati, Cincinnati, OH 45221-0012 |
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