| 甲烷部分氧化反应过程中的振荡行为 |
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| 引用本文： | 任秀彬,李换英,郭向云.甲烷部分氧化反应过程中的振荡行为[J].物理化学学报,2008,24(2):197-200. |
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| 作者姓名： | 任秀彬 李换英 郭向云 |
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| 作者单位： | 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 |
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| 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.
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| 关 键 词： | Monte Carlo模拟 振荡行为 甲烷部分氧化 |
| 收稿时间： | 2007-07-18 |
| 修稿时间： | 2007-11-05 |
Oscillatory Behavior during the Partial Oxidation of Methane |
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| REN Xiu-Bin,LI Huan-Ying,GUO Xiang-Yun.Oscillatory Behavior during the Partial Oxidation of Methane[J].Acta Physico-Chimica Sinica,2008,24(2):197-200. |
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| Authors: | REN Xiu-Bin LI Huan-Ying GUO Xiang-Yun |
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| Institution: | 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 |
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| 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. |
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| Keywords: | Monte Carlo simulation Oscillatory behavior Partial oxidation of methane |
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