RCl_(2)(R:Hg^(2+)、Pd^(2+)、Cu^(2+)、Cd^(2+)、Mg^(2+)、Pt^(2+))催化二氯乙烷裂解反应机理  

Cracking Reaction Mechanism of Dichloroethane Catalyzed by RCl_(2)(R:Hg^(2+)、Pd^(2+)、Cu^(2+)、Cd^(2+)、Mg^(2+)、Pt^(2+))

作　　者：秦巧俏 徐东辉 张爽 陈晓 王薇[1] 李来才[1] QIN Qiaoqiao;XU Donghui;ZHANG Shuang;CHEN Xiao;WANG Wei;LI Laicai(College of Chemistry and Material Sciences,Sichuan Normal University,Chengdu 610066,Sichuan)

机构地区：[1]四川师范大学化学与材料科学学院,四川成都610066

出　　处：《四川师范大学学报（自然科学版）》2021年第3期376-384,共9页Journal of Sichuan Normal University（Natural Science）

基　　金：四川省应用基础研究项目(2014JY0099)。

摘　　要：研究不同二价金属催化剂RCl_(2)(R:Hg^(2+)、Pd^(2+)、Cu^(2+)、Cd^(2+)、Mg^(2+)、Pt^(2+))对催化二氯乙烷裂解生成氯乙烯的反应机理以及可行的反应路径,通过比较不同路径的速控步骤的活化能大小,确定最优反应路径,讨论反应活化能与催化剂能隙关系,分析每种催化剂活性与其微观特性关系,希望能揭示系列催化剂的作用本质,同时还研究系列催化剂的中毒效应,综合考察每种催化剂的催化性能.In this paper,the reaction mechanism and feasible reaction pathways of different divalent metal catalysts RCl_(2)(R:Hg^(2+)、Pd^(2+)、Cu^(2+)、Cd^(2+)、Mg^(2+)、Pt^(2+))for catalyzing the cracking of dichloroethane to vinyl chloride are theoretically studied.The optimal reaction path is determined by comparing the activation energy of the velocity control steps of different paths.The relationship between the activity of each catalyst and its microcosmic characteristics is analyzed.Moreover,the relationship between the activation energy and the energy gap of the catalyst is also discussed in order to reveal the nature of the action of the series of catalysts.At the same time,the poisoning effects of a series of catalysts are studied,and the catalytic performance of each catalyst is investigated comprehensively.

关 键 词：二氯乙烷 氯乙烯 催化机理 密度泛函理论 

分 类 号：O641.3[理学—物理化学]