2006 AIChE Annual Meeting

Session: Rational Catalyst Design I

This session is devoted to papers describing experimental and theoretical efforts at rational catalyst design.

Chair

James A. Dumesic, University of Wisconsin-Madison

Co-Chair

Manos Mavrikakis, University of Wisconsin-Madison

Presentations

12:30 PM

(407a) Ab 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 PM

(407b) First-Principles Design of Metal Alloy Catalysts for Electrocatalytic Methanol Oxidation
Matthew Neurock, Michael J. Janik, Sally A. Wasileski

01:20 PM

(407c) Molecular Insight into Carbon Poisoning of Ni Surfaces: Dft-Guided Formulation of Carbon-Tolerant Steam Reforming Catalysts
Eranda Nikolla, Johannes Schwank, Suljo Linic

01:45 PM

(407d) Fuels and Chemicals from Low-Temperature Catalytic Conversion of Glycerol to Synthesis Gas
Ricardo Reis Soares, Dante A. Simonetti, James A. Dumesic

02:10 PM

(407e) Design 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

02:35 PM

(407f) An Ab-Initio Study of Methanol Synthesis on Cu Catalysts
Lars Grabow, Manos Mavrikakis