Wednesday, November 19, 2008: 8:30 AM-11:00 AM
401/402 (Marriott Philadelphia Downtown)

Catalysis and Reaction Engineering Division (20)

#403 - Computational Catalysis I (20013)
Chair:Suljo Linic
CoChair:John Kitchin
CoSponsor(s):Computational Molecular Science and Engineering Forum (21)
Low Pressure (01g)
8:30 AMNano-Scale Environmental Effects In the Reactivity of Platinum Clusters
Ye Xu, Rachel B. Getman, William A. Shelton Jr., William F. Schneider
8:55 AMAdsorbate-Adsorbate Interactions In Heterogeneous Catalysis: DFT and Ab Initio Thermodynamic Studies of Pressure- and Temperature-Dependant Impact of Alkalis on Oxidation Reactions
Hongliang Xin, Suljo Linic
9:20 AMDifferent Wetting Behaviors of Pd and Rh on the CeO2(111) Surface. A DFT and Hrtem Study
Liang Chen, Xiaoqing Pan, George Graham
9:45 AMDensity Functional Theory Study of NOx Storage Reduction Catalysts
Randall Meyer, Jelena Jelic
10:10 AMSupport Effects on the Catalytic Properties of Pt-Au Bimetallic Nanoparticles. A Multi-Scale Simulation Study
Brian H. Morrow, Alberto Striolo
10:35 AMTheoretical and Experimental Studies of Hydrogen Production from Ammonia Decomposition
Danielle A. Hansgen, Jingguang G. Chen, Dion Vlachos

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