651 Rational Catalyst Design I

Thursday, November 20, 2014: 8:30 AM
308 (Hilton Atlanta)
Description:
Rational catalyst design has the potential to speed up the discovery of new materials with tailored properties and eventually eliminate trial-and-error testing. The identification of relevant descriptors, screening methods, and the development of structure-property relationships are just a few examples that illustrate these efforts. This session welcomes contributions that describe experimental or theoretical methods that aim to enable the rational design catalytic materials with improved activity, selectivity, stability, or poison resistance.

Sponsor:
Catalysis and Reaction Engineering Division

Chair:
Ettireddy P. Reddy
Email: PEttireddy@tenneco.com

Co-Chair:
Andrew (Bean) Getsoian
Email: getsoian@berkeley.edu


8:30 AM
(651a) Virtual Prototyping of Porous Structure of Catalysts
Milos A. Marek and Petr Koci

8:45 AM
(651b) Modification of Supported Metal Catalysts with Alkanethiol Self-Assembled Monolayers
Rudy Kahsar, Will Medlin and Daniel K. Schwartz

9:00 AM
(651c) Reaction Mechanistic Studies of NO Reduction By H2 on Transition Metal Surfaces
Yunhai Bai, Carrie A. Farberow, Matthias Riegraf, Jeremias A. Bickel, Brandon Foley, James A. Dumesic and Manos Mavrikakis

9:15 AM
(651d) Si-Rich and Ti-Rich (Mn, Cu and Ce) Catalyst Formulations for the Selective Catalytic Reduction (SCR) of NOx with NH3: Surface Properties and Key Components in Relation with Activity of NOx Reduction
Thirupathi Boningari, Dimitrios Pappas, Padmanabha Reddy Ettireddy, Adam Kotrba, Thomas Spinks and Panagiotis Smirniotis

9:30 AM
(651e) Controlling Selectivity of Catalytic Reactions on Metal Nanoparticles through Direct Photoexcitation of Targeted Metal-Adsorbate Bonds
Matthew Kale, Talin Avanesian, Hongliang Xin, Jun Yan and Phillip Christopher

9:45 AM
(651f) Molecular Design of Advanced Supported ReOx/Al2O3 Olefin Metathesis Catalysts
Soe Lwin and Israel E. Wachs

10:00 AM
(651g) Copper Based Catalysts with Balanced Active Sites for Carbon-Oxygen Hydrogenolysis Reactions
Hairong Yue
See more of this Group/Topical: Catalysis and Reaction Engineering Division
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