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ISSN 1000-6818CN 11-1892/O6CODEN WHXUEU
Acta Phys Chim Sin >> 1997,Vol.13>> Issue(02)>> 183-187     doi: 10.3866/PKU.WHXB19970216         中文摘要
The Influence of Diffusion on the First Order Phase Transition Point of CO Oxidation:Monte Carlo Simulation
Zeng Jian-Qing,Zhang Jing-Cheng,Guo Xiang-Yun,Zhong Bing
Guangzhou Institute of Chemistry,Chinese Academy of Sciences,Guangzhou 510650|Institute of Coal Chemistry,Chinese Academy of Sciences,Taiyuan 030001
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The influence of adsorbed CO diffusion on the first order phase transition point (y2)of CO oxidation based on Langmuir-Hinshelwood mechanism was studied in detail by Monte Carlo simulation. It was found that CO diffusion increased the value of the first order phase transition point(y2) and when the ratio(k) of diffusion probability of adsorbed CO to adsorption probability of CO is 100, y2 is equal to 0.642. The correlated y2 value is in good agreement with the theoretical result(0.65) obtained by Mai when k approaches to infinity large.



Keywords: Monte Carlo method   CO oxidation   Diffusion on surface   Phase transition point  
Received: 1996-08-19 Accepted: 1996-11-12 Publication Date (Web): 1997-02-15
Corresponding Authors: Zeng Jian-Qing Email:


Cite this article: Zeng Jian-Qing,Zhang Jing-Cheng,Guo Xiang-Yun,Zhong Bing. The Influence of Diffusion on the First Order Phase Transition Point of CO Oxidation:Monte Carlo Simulation[J]. Acta Phys. -Chim. Sin., 1997,13 (02): 183-187.    doi: 10.3866/PKU.WHXB19970216
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