| NO催化还原反应的Monte Carlo模拟 |
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| 引用本文： | 周鲁,陈小全,徐苏明.NO催化还原反应的Monte Carlo模拟[J].四川大学学报(工程科学版),2000,32(4):62-64. |
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| 作者姓名： | 周鲁 陈小全 徐苏明 |
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| 作者单位： | 四川大学,化学工程学院,成都610065 |
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| 摘 要： | 采用Ｌａｎｇｍｕｉｒ－Ｈｉｎｓｈｌｅｗｏｏｄ单晶表面催化模型，建立了ＮＯ在Ｒｈ（１１１）单晶表面催化还原生成Ｎ２的反应动力学方程，并采用ＭｏｎｔｅＣａｒｌｏ方法对ＮＯ的催化还原反应动力学基元过程进行模拟。根据模拟结果，讨论了气相混合物中各化学物种分压和单晶表面上各吸附物覆盖度随时间变化的规律。
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| 关 键 词： | NO 催化还原 MonteCarlo模拟 环境化学 |
| 修稿时间： | 1999-09-20 |
Monte Carlo Simulation of Catelytic and Reducille Reection of NO on the Rh(111) Surface |
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| ZHOU Lu,CHEN Xiao-quan,XU Su-min.Monte Carlo Simulation of Catelytic and Reducille Reection of NO on the Rh(111) Surface[J].Journal of Sichuan University (Engineering Science Edition),2000,32(4):62-64. |
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| Authors: | ZHOU Lu CHEN Xiao-quan XU Su-min |
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| Abstract: | In this paper, apply langmuir Hinshlewood catalytic machnism to set up a reaction model of NO on Rh(111) catalytic and reducilbe to N 2.The elemetary steps of the reaction have been simulated by Monte Calo method under the different rection temperature and initial pressure.According to the simalation resufts,the change with MCS of the gas phase and surface chemical species have been dissertated. |
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| Keywords: | NO catalytic and reducible mante carlo simalution |
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