物理化学学报 >> 2008, Vol. 24 >> Issue (02): 197-200.doi: 10.1016/S1872-1508(08)60009-1

研究论文 上一篇    下一篇

甲烷部分氧化反应过程中的振荡行为

任秀彬; 李换英; 郭向云   

  1. 中国科学院山西煤炭化学研究所煤转化国家重点实验室, 太原 030001; 中国科学院研究生院, 北京 100049
  • 收稿日期:2007-07-18 修回日期:2007-11-05 发布日期:2008-01-26
  • 通讯作者: 郭向云 E-mail:xyguo@sxicc.ac.cn

Oscillatory Behavior during the Partial Oxidation of Methane

REN Xiu-Bin; LI Huan-Ying; GUO Xiang-Yun   

  1. State Key Laboratory of Coal Conversion, Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan 030001, P. R. China; Graduate School of the Chinese Academy of Sciences, Beijing 100049, P. R. China
  • Received:2007-07-18 Revised:2007-11-05 Published:2008-01-26
  • Contact: GUO Xiang-Yun E-mail:xyguo@sxicc.ac.cn

摘要: 采用Monte Carlo方法模拟了甲烷催化部分氧化反应过程中的振荡行为. 根据Langmuir-Hinshelwood表面反应机理,建立了相应的Monte Carlo模型. 结果表明,产物生成速率和表面物种的覆盖度表现出明显的振荡行为, 金属催化剂表面的快速氧化和缓慢还原是导致振荡产生的主要原因.

关键词: Monte Carlo模拟, 振荡行为, 甲烷部分氧化

Abstract: A simplified Monte Carlo model was proposed to simulate the oscillatory behavior during catalytic partial oxidation of methane. Using the Langmuir-Hinshelwood mechanism, the oscillatory behavior was observed in both reaction rates and coverages of adsorbed species. The influence of oxidation and reduction of the catalyst surface on the oscillations was investigated, and the analysis showed that the fast oxidation and slow reduction of the catalyst surface resulted in the oscillatory behavior.

Key words: Monte Carlo simulation, Oscillatory behavior, Partial oxidation of methane

MSC2000: 

  • O643