高等学校化学学报 ›› 1988, Vol. 9 ›› Issue (8): 866.

• 论文 • 上一篇    

碘离子催化的H2O2-BAT反应的Monte Carlo模拟

王柯敏, 俞汝勤   

  1. 湖南大学化学化工系
  • 收稿日期:1987-01-20 出版日期:1988-08-24 发布日期:1988-08-24
  • 通讯作者: 王柯敏

The Monte Carlo Simulation of Iodide-Catalyzed H2O2-BAT Reaction

Wang Kemin, Yu Ruqin   

  1. Department of Chemistry and Chemical Engineering, Hunan University, Changsha
  • Received:1987-01-20 Online:1988-08-24 Published:1988-08-24

摘要: 催化动力学分析是痕量分析中检测下限低、选择性较好的一种方法,但目前分析工作者对所用的反应机理常不明瞭,仅能作为“黑箱”应用之。模拟技术可为探讨这类分析反应机理提供有用的信息。前文[1]报道用溴胺T(BAT)离子电极、跟踪碘离子催化的BAT-H2O2反应测定痕量碘效果甚佳。

关键词: 随机模拟, 催化反应, 反应机理

Abstract: Monte Carlo method was used for computer simulation of the possible reaction route of the iodide-catalyzed H2O2-BATreaction. For the simulation of the effective collision between the reactant and catalyst particles, some additional hypotheses were proposed and a new Monte Carlo simulation algorithm was worked out. The algorithm can provide useful information for probing the schemes of this type of reaction.

Key words: Monte Carlo simulation, Catalytic reaction, Reaction schemes

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