| N2O分解反应的动力学-Monte Carlo模拟 |
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| 引用本文： | 郭向云,钟炳,彭少逸.N2O分解反应的动力学-Monte Carlo模拟[J].物理化学学报,1995,11(2):180-184. |
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| 作者姓名： | 郭向云 钟炳 彭少逸 |
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| 作者单位： | Institute of Coal Chemistry,Chinese Academy of Sciences,Taiyuan 030001 |
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| 摘 要： | N2O是一种大气污染物，许多金属氧化物能使它发生分解反应，生成N2和O2．因此，N2O的催化分解反应很早就引起了研究者的兴趣1]．传统的动力学着重去研究反应速率和一些反应参数，如温度、压力、组成等的关系，往往忽视催化表面的性质，从而使速率方程变得十分复杂．Kobayashi等人利用过渡应答法研究了N2O分解反应的动力学，计算了两个基元步骤的速率常数，但没有给出表面物种浓度变化的更进一步的信息2]．近年来，MonteCarlo方法在研究表面反应机理和动力学方面已经取得了一些成功3，4]．我们曾用MonteCarlo方法研究了N2O催化分解…
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| 关 键 词： | Monte Carlo方法 N2O催化分解 表面覆盖度 |
| 收稿时间： | 1994-01-24 |
| 修稿时间： | 1994-05-10 |
Kinetics of Decomposition of N2O-Monte Carlo Simulation |
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| Guo Xiangyun, Zhong Bing, Peng Shaoyi.Kinetics of Decomposition of N2O-Monte Carlo Simulation[J].Acta Physico-Chimica Sinica,1995,11(2):180-184. |
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| Authors: | Guo Xiangyun Zhong Bing Peng Shaoyi |
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| Institution: | Institute of Coal Chemistry,Chinese Academy of Sciences,Taiyuan 030001 |
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| Abstract: | The kinetics of the decomposition of N2O on a catalytic surface is simulatedby means of the Monte Carlo technique. The results show that the reaction rate is dependent not only to the mole fraction of N2O in gas phase, but also to the surface-O coverage.The surface-O coverage increases with the increasing of the mole fraction of N2O in gas.When the reaction gas is pure N2O, the surface-O coverage can be a constant, and it isindependent to the pressuze of N2O gas. |
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| Keywords: | Monte Carlo method N_2O decomposition Surface coverage |
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