Kinetic Monte Carlo simulations of heterogeneously catalyzed oxidation reactions-Reference-Cited by-同舟云学术

Kinetic Monte Carlo simulations of heterogeneously catalyzed oxidation reactions

Published:2014 Issue:3 Volume:4 Page:583-598
ISSN:2044-4753
Container-title:Catal. Sci. Technol.
language:en
Short-container-title:Catal. Sci. Technol.

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

Link

http://pubs.rsc.org/en/content/articlepdf/2014/CY/C3CY00833A

Reference93 articles.

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

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

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