Computational Catalysis II | AIChE

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Computational Catalysis II

Chair(s)

Thomson, K. T., Purdue University

This is the second of two sessions devoted to all aspects of using computational techniques to understand catalytic phenomena.

Presentations

12:30 PM
(660a) Investigation of Nitric Oxide Oxidation Catalysis on Pt(111) Using Density Functional Theory
12:55 PM
(660b) A Dft Study of the Structure of Isolated Molybdena Species Supported on Silica and Their Activity for Methane Oxidation to Formaldehyde
1:20 PM
(660c) A First Principles Analysis of the Activation of Propane over Substituted Heterpolyacids
1:45 PM
(660d) A Quantum-Mechanics/Molecular-Mechanics Study of Potential Steps in Direct Propylene Epoxidation Using H2 and O2 on Au/Titanium-Silicalite-1 Catalysts
2:10 PM
(660e) Pseudomorphic Monolayer Catalysts for Denox Applications
2:35 PM
(660f) Coverage Dependent Adsorption Energies of Oxygen on Ag-Pd Alloy Surfaces

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Individuals

AIChE Pro Members $150.00
AIChE Graduate Student Members Free
AIChE Undergraduate Student Members Free
AIChE Explorer Members $225.00
Non-Members $225.00

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