Kinetic Monte Carlo Simulation of Molecular Processes on Supported Metal Particles

被引：0

作者：

J. L. Sales

M. V. Gargiulo

G. Zgrablich

机构：

[1] IEE,

[2] Universidad Nacional de San Juan,undefined

[3] INFAP,undefined

[4] CONICET-Universidad Nacional de San Luis,undefined

来源：

Topics in Catalysis | 2011年 / 54卷

关键词：

Catalytic reactions; Supported metal particles; Monte Carlo simulation;

D O I：

暂无

中图分类号：

学科分类号：

摘要：

A general model is proposed to describe the kinetics of molecular reactions taking place on supported metal particles, which are deformed by the effect of temperature, through kinetic Monte Carlo simulations. The model is applied to the study of the CO oxidation reaction. The effects of adsorbate–adsorbate and adsorbate–metal interactions and of CO and metal atoms diffusion on the reaction window and the overall reaction rate are determined.

引用

页码：101 / 107

页数：6