甲烷部分氧化反应过程中的振荡行为

摘要

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.%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.