2012 AIChE Annual Meeting

Session: Computational Catalysis II

Co-Chair

N. A. Deskins, Worcester Polytechnic Institute

Presentations

03:15 PM

(134a) Structure Sensitivity of Dimethyl Ether Electro-Oxidation
Manos Mavrikakis, Luke Roling

03:35 PM

(134b) Investigation of Ammonia Oxidation On the Platinum Surface for Hydrogen Generation
Damilola A. Daramola, Gerardine G. Botte

03:55 PM

(134c) Multiscale Modeling of the H2 Oxidation Reaction At the Ni/YSZ Interface in the Presence and Absence of Sulfur
Andreas Heyden

04:15 PM

(134d) Effects of Crystal Structure, Oxidation State, Vacancy Concentration and Composition On Perovskite Reactivity

04:35 PM

(134e) DFT Predictions On the Kinetics and Bond Selectivity of Propane Activation On Palladium Oxide(101) Surface
Abbin Antony

04:55 PM

(134f) Modeling the Aldose- Ketose Isomerization by Lewis Acids in the Gas Phase and Aqueous Media. A Detailed Mechanistic Study
Samir H. Mushrif, Stavros Caratzoulas, Douglas J. Doren

05:15 PM

(134g) Direct Versus Hydrogen Assisted CO Dissociation On Metal Surfaces
Dominic Alfonso