Wednesday, November 15, 2006: 12:30 PM-3:00 PM
Franciscan B (Hilton San Francisco)
#407 - Rational Catalyst Design I (20009)
This session is devoted to papers describing experimental and theoretical efforts at rational catalyst design.
Chair:James A. Dumesic
CoChair:Manos Mavrikakis
12:30 PMAb Initio Molecular Design of Catalysts for Ethylene and Styrene Polymerization and Methane to Methanol Conversion
Joseph Han, Kuo-Wei Huang, Robert M. Waymouth, Ankan Paul, Charles B. Musgrave
12:55 PMFirst-Principles Design of Metal Alloy Catalysts for Electrocatalytic Methanol Oxidation
Matthew Neurock, Michael J. Janik, Sally A. Wasileski
1:20 PMMolecular Insight into Carbon Poisoning of Ni Surfaces: Dft-Guided Formulation of Carbon-Tolerant Steam Reforming Catalysts
Eranda Nikolla, Johannes Schwank, Suljo Linic
1:45 PMFuels and Chemicals from Low-Temperature Catalytic Conversion of Glycerol to Synthesis Gas
Ricardo R. Soares, Dante A. Simonetti, James A. Dumesic
2:10 PMDesign of a Stable Mononuclear Supported Gold Catalyst on Cerium Oxide: Synthesis and Spectroscopic Characterization during Carbon Monoxide Oxidation Catalysis
Veronica I. Aguilar-Guerrero, Bruce C. Gates
2:35 PMAn Ab-Initio Study of Methanol Synthesis on Cu Catalysts
Lars Grabow, Manos Mavrikakis

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