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Acta Physico-Chimica Sinica  1997, Vol. 13 Issue (02): 183-187    DOI: 10.3866/PKU.WHXB19970216
Note     
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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Abstract  

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.



Key wordsMonte Carlo method      CO oxidation      Diffusion on surface      Phase transition point     
Received: 19 August 1996      Published: 15 February 1997
Corresponding Authors: Zeng Jian-Qing   
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. Acta Physico-Chimica Sinica, 1997, 13(02): 183-187.

URL:

http://www.whxb.pku.edu.cn/10.3866/PKU.WHXB19970216     OR     http://www.whxb.pku.edu.cn/Y1997/V13/I02/183

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