Acta Phys. -Chim. Sin. ›› 1997, Vol. 13 ›› Issue (02): 183-187.doi: 10.3866/PKU.WHXB19970216

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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   

  1. Guangzhou Institute of Chemistry,Chinese Academy of Sciences,Guangzhou 510650|Institute of Coal Chemistry,Chinese Academy of Sciences,Taiyuan 030001
  • Received:1996-08-19 Revised:1996-11-12 Published:1997-02-15
  • Contact: Zeng Jian-Qing

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 words: Monte Carlo method, CO oxidation, Diffusion on surface, Phase transition point