Computational Catalysis II: Screening and Design | AIChE

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Computational Catalysis II: Screening and Design

Chair(s)

Grabow, L. C., University of Houston

Co-chair(s)

Gomes, J. S., University of California Berkeley

Please submit only to the main session.

Presentations

3:15 PM
(175a) Nonlinear Optimization-Based Approaches for Modeling and Design of Heterogeneous Catalytic Systems
3:35 PM
(175b) Estimating Reaction Rates from Coverage Dependent Binding Energies
3:55 PM
(175c) Predicting Adsorption Energies for Use in Catalyst Design
4:15 PM
(175d) Adsorption on Metal Nanoparticles: Size and Shape Matters
4:35 PM
(175e) Uncertainty Quantification of a Computational Study of the Water-Gas Shift Reaction Catalyzed By Platinum Clusters Supported on Titanium Oxide (Pt/TiO2)
4:55 PM
(175f) Ab Initio Framework for Uncovering Structure-Property Relationships of Amorphous Catalysts
5:15 PM
(175g) Computational Database of Metal-Oxide Surface Reactivities for Catalyst Design

Topics 

Catalysis

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Pricing

Individuals

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

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