摘要
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(O.65) obtained by Mai when k approaches to infinity large.
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(O.65) obtained by Mai when k approaches to infinity large.
出处
《物理化学学报》
SCIE
CAS
CSCD
北大核心
1997年第2期183-187,共5页
Acta Physico-Chimica Sinica
关键词
表面扩散
相变点
一氧化碳
氧化
蒙特卡罗法
Monte Carlo method, CO oxidation, Diffusion on surface, Phase transition point
