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
收藏
页码：101 / 107
页数：6
相关论文
共 56 条
[1]  
Somorjai GA(2008)undefined Chem Soc Rev 37 2155-undefined
[2]  
Park JY(1998)undefined Surf Sci Rep 31 231-undefined
[3]  
Henry CR(1997)undefined Catal Rev Sci Eng 39 77-undefined
[4]  
Gunter PLJ(2001)undefined J Mol Catal A Chem 167 171-undefined
[5]  
Niemantsverdriet JW(2003)undefined PCCP 5 2906-undefined
[6]  
Ribeiro FH(2007)undefined J Comp Chem 29 79-undefined
[7]  
Somorjai GA(2009)undefined Chem Eng J 154 88-undefined
[8]  
Ramírez-Cuesta AJ(2006)undefined J Phys Chem B 110 24964-undefined
[9]  
Bennet RA(2006)undefined J Chem Phys 125 074705-undefined
[10]  
Stone P(2007)undefined J Phys Chem C 111 7795-undefined
123456