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Citation: 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 Physico-Chimica Sinica, ;1997, 13(02): 183-187. doi: 10.3866/PKU.WHXB19970216 shu

The Influence of Diffusion on the First Order Phase Transition Point of CO Oxidation:Monte Carlo Simulation

1.
Guangzhou Institute of Chemistry,Chinese Academy of Sciences,Guangzhou 510650

Received Date: 19 August 1996
Available Online: 15 February 1997

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 od agreement with the theoretical result(0.65) obtained by Mai when k approaches to infinity large.
- Monte Carlo method,
- CO oxidation,
- Diffusion on surface,
- Phase transition point
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