Computational Catalysis IV | AIChE

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Computational Catalysis IV

Chair(s)

Kitchin, J. R., Carnegie Mellon University

Co-chair(s)

Thomson, K. T., Purdue University

TBA

Presentations

8:30 AM
(585a) Alkylation of Benzene with Ethene over H-ZSM-5 – A Multiscale Investigation
8:55 AM
(585b) Catalytic Ethanol Decomposition: An Example for Reducing Brute-Force DFT Work for Surface Reactivity by Combining BEP and Scaling Relations
9:20 AM
(585c) Selective Hydrogenation of the Oxygenates : The Influence of the Nature of the Solvent
9:45 AM
(585d) Structure Characteristics of Hydration Layer Confined to Slab Geometry of Rutile(110)
10:10 AM
(585e) Relating the Electronic Structure of the Oxide Support to the Chemical Activity of Au/oxide Catalysts: A First Principles Study
10:35 AM
(585f) Theoretical Study of Propane, Dioxygen and Ammonia Activation Over Cluster Models of the Surface ab Planes of Mo-V-Te-Nb-O M1 Phase Catalyst

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AIChE Pro Members $150.00
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AIChE Explorer Members $225.00
Non-Members $225.00

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