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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.
The Monte Carlo method was used to simulate the oscillatory behavior of methane catalyzed partial oxidation reaction.According to the Langmuir-Hinshelwood surface reaction mechanism, a corresponding Monte Carlo model was established.The results show that the product formation rate and surface species coverage show significant oscillation Behaviors, rapid oxidation and slow reduction of the metal catalyst surface are the main causes of oscillation.