2006 AIChE Annual Meeting

Session: Fundamentals of Surface Reactivity

This session focuses on understanding the fundamentals of surface reactivity at the atomistic scale.

Chair

James Medlin, University of Colorado

Co-Chair

Alan E. Nelson, University of Alberta

Presentations

12:30 PM

(73a) Chiral Surfaces and Enantioselectivity
Andrew J. Gellman, Ye Huang, Joshua D. Horvath, Anjannette Koritnik

12:50 PM

(73b) A Density Functional Theory Investigation of Methane Activation on a Palladium Oxide Catalyst
Brian R. Kromer, Fabio H. Ribeiro, Kendall T. Thomson

01:10 PM

(73c) Alkali-Promotion in Heterogeneous Catalysis: Dft Studies of the Pressure- and Temperature-Dependant Impact of Alkalis on Oxidation Reactions
Mike Adams, Suljo Linic

01:30 PM

(73d) Controlling Immobilized Amine Reactivity Via Tailored Surface Environments
John D. Bass, John J. Daniels, Alexander Katz

01:50 PM

(73e) First-Principle Comparison of Co and No Oxidation at Oxide Surfaces
William F. Schneider, Hangyao Wang

02:10 PM

(73f) Coverage Effects in the Adsorption Energy of Oxygen on Pd and Ag(111)
John Kitchin

02:30 PM

(73g) Dissociation of Water on Defective Carbon Substrates
Erik E. Santiso, Milen K. Kostov, Keith E. Gubbins, Aaron M. George, Marco Buongiorno-Nardelli