OF19 Effects of Heat and Mass Transfer on the CO Oxidation Kinetics over the RuO2(110) Catalyst

Tuesday, June 7, 2011: 10:00 AM
Ambassador Ballroom 3 (Detroit Marriott Hotel at the Renaissance Center )
Donghai Mei, Institute for Interfacial Catalysis, Pacific Northwest National Laboratory, Richland, WA and Guang Lin, Fundamental and Computational Scisnces Directorate, Pacific Northwest National Laboratory, Richland, WA
We propose a heterogeneous reaction model that directly couples first-principles kinetic Mote Carlo (KMC) simulation with a finite difference continuum model in a real-time dynamical mode. CO oxidation on the RuO2(110) catalyst was chosen as the benchmark reaction system to demonstrate the proposed model. 

Extended Abstracts:

See more of: Computational Theory for Energy Issues (I)
See more of: Emerging Issues: Novel Materials, Theory, and Experimental Methods
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