Modeling other catalyst properties

Thursday, June 18, 2015: 10:20 AM-12:00 PM
408-410 (Lawrence Convention Center)
Rachel Getman, Clemson University, USA.
10:20 AM
Catalyst/Support Interactions Between Pt Nanoparticles and Amorphous Silica Using Density Functional Theory
Christopher Ewing1,2, Michael Hartmann1, Daniel Lambrecht1,2, Götz Veser3, Joseph McCarthy1 and Karl Johnson1,2,3, (1)University of Pittsburgh, USA, (2)Pittsburgh Quantum Institute, USA, (3)National Energy Technology Laboratory, USA.
10:40 AM
Effects of Aqueous Phase Environment on Phenol Hydrogenation over Pt and Ni Catalysts
Donghai Mei1, Yeohoon Yoon1, Roger Rousseau1, Robert S. Weber1 and Johannes Lercher1,2, (1)Pacific Northwest National Laboratory, USA, (2)Technische Universität München, Germany.
11:00 AM
Can Single Sites Create Multi Peak Spectra? Modeling Finite Temperature Infrared Spectra of CO and NO Adsorbed in Cu-SSZ-13
Florian Göltl1, Philippe Sautet2 and Ive Hermans1,3, (1)University of Wisconsin - Madison, USA, (2)University of Lyon and CNRS, ENS-Lyon, France, (3)University of Wisconsin Madison, USA.
11:20 AM
Core-Level Shifts in Cu-Pd Alloys As a Function of Bulk Composition and Structure
Jacob Boes, John R. Kitchin and Andrew Gellman, Carnegie Mellon University, USA.
11:40 AM
Methane Steam Reforming on Ni Catalysts: Using External Electric Fields to Enhance Catalytic Performance
Fanglin Che, Jean-Sabin McEwen and S. Ha, Washington State University, USA.
See more of: Catalyst Modelling and Simulation
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