2012 AIChE Annual Meeting

Session: Computational Catalysis IV

Co-Chair

Andreas Heyden, University of South Carolina

Presentations

03:15 PM

(330a) A Systematic Ab Initio Strategy for Predicting Structure-Activity Relationships of Catalysts On Amorphous Supports
Baron Peters

03:35 PM

(330b) Initial Pathways to O Vacancy Formation On Pdo(101)

03:55 PM

(330c) Newly Proposed Catalytic Route for the Production of Propylene Epoxide
Thomas A. Manz

04:15 PM

(330d) A DFT+U Investigation of Propene Oxidation Over Bismuth Molybdate
Vladimir Shapovalov

04:35 PM

(330e) Developing Relationships for the Lewis-Catalyzed Alcohol Dehydration On Alumina

04:55 PM

(330f) Theoretical Investigation of the Water-Gas Shift Reaction At the Three-Phase Boundary of Ceria (111) Supported Platinum Clusters

05:15 PM

(330g) A First-Principles Study On Carbon Dioxide Reforming of Methane Over Supported Pt Catalysts
Zhuo Cheng, Cynthia S. Lo, Nathan A. Fine, Brent Sherman, Vesna Havran