Kinetic Monte Carlo simulations of heterogeneously catalyzed oxidation reactions

Author:

Hess Franziska123,Over Herbert123

Affiliation:

1. Dept. of Physical Chemistry

2. Justus-Liebig-University

3. , Germany

Abstract

In this perspective, we focus on the catalyzed oxidation of CO and HCl over the model catalyst RuO2(110) and how the kinetics of these reactions can only properly be modeled by kinetic Monte Carlo (kMC) simulations when lateral interactions of the surface species are taken into account.

Publisher

Royal Society of Chemistry (RSC)

Subject

Catalysis

Reference93 articles.

1. K. J. Laidler , Chemical Kinetics , Harper & Row , New York , 1987

2. Handbook of Heterogeneous Catalysis , ed. G. Ertl , H. Knözinger , F. Schüth and J. Weitkamp , Wiley , New York , 2008

3. M. Boudart , Kinetics of Chemical Processes , Prentice Hall , Englewood Cliffs, NJ , 1968

4. Microkinetic simulation of catalytic reactions

5. Reactions at Surfaces: From Atoms to Complexity (Nobel Lecture)

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