碘离子催化的H_(2)O_(2)-BAT反应的Monte Carlo模拟  

The Monte Carlo Simulation of Iodide-Catalyzed H_(2)O_(2)-BAT Reaction

作　　者：王柯敏[1] 俞汝勤[1] Wang Kemin;Yu Ruqin(Department of Chemistry and Chemical Engineering,Hunan University,Changsha)

机构地区：[1]湖南大学化学化工系

出　　处：《高等学校化学学报》1988年第8期866-869,共4页Chemical Journal of Chinese Universities

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。前文报道用溴胺T(BAT)离子电极、跟踪碘离子催化的BAT-H_(2)O_(2)反应测定痕量碘效果甚佳。仿Koupparis等的推测,可导出该催化反应的可能机理为。Monte Carlo method was used for computer simulation of the possible reaction route of the iodide-catalyzed H_(2)O_(2)-BAT reaction. 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.

关 键 词：随机模拟 催化反应 反应机理 

分 类 号：O65[理学—分析化学]