文献类型：期刊文献

中文题名：TOME环化反应热力学分析及反应动力学研究

英文题名：Thermodynamic analysis and kinetics of cyclization of TOME

作者：刘宏晓[1];孙伟振[1];赵玲[1,2]

机构：[1]华东理工大学化学工程联合国家重点实验室,上海200237;[2]新疆大学化学化工学院,新疆乌鲁木齐830046

年份：2020

卷号：71

期号：2

起止页码：500

中文期刊名：化工学报

外文期刊名：CIESC Journal

收录：CSTPCD;;EI(收录号：20201308348524);Scopus;北大核心:【北大核心2017】；CSCD:【CSCD2019_2020】；

基金：国家自然科学基金项目(91434108)

语种：中文

中文关键词：癸烯酸甲酯;环化反应;基团贡献法;热力学分析;反应动力学

外文关键词：TOME;cyclization reaction;group-contribution;thermodynamic analysis;kinetics

摘要：采用基团贡献法对四甲基-酮-癸烯酸甲酯(TOME)环化反应进行了热力学分析。结果表明,标准压力下该反应为吸热反应,温度高于403 K范围内反应为自发过程;反应的Gibbs自由能变随温度的升高而减小,升温有利于反应正向进行。通过间歇实验研究了非催化条件、常压、463~493 K温度范围内TOME环化反应动力学。动力学拟合结果表明,该反应为一级反应,升温能明显加快反应速率,在所研究温度范围内反应活化能为143.72 kJ·mol^-1。
Thermodynamic analysis of the cyclization reaction of tetramethyl-keto-methyl cenoate(TOME)was performed using the group contribution method.The results indicate that under standard pressure,the reaction is endothermic and it is spontaneous when the temperature is greater than 403 K.The Gibbs free energy decrease with the increase of temperature,indicating that the reaction occurs more easily at higher temperatures.The cyclization kinetics of TOME at atmospheric pressure and temperature range of 463-493 K was studied by batch experiments.The kinetic fitting results show that the reaction is a first-order reaction,and the increase of temperature can significantly accelerate the reaction rate.The activation energy of the reaction is estimated to be 143.72 kJ·mol^-1 in the studied temperature range.