文献类型：期刊文献

中文题名：苯和甲醇烷基化反应的热力学分析

英文题名：Thermodynamic Analysis on Alkylation Reaction of Benzene and Methanol

作者：徐亚荣[1,2];徐新良[1];朱学栋[2]

机构：[1]中国石油乌鲁木齐石化公司研究院,新疆乌鲁木齐830019;[2]华东理工大学化工学院,上海200237

年份：2015

卷号：31

期号：5

起止页码：475

中文期刊名：化学反应工程与工艺

外文期刊名：Chemical Reaction Engineering and Technology

收录：CSTPCD;;Scopus;北大核心:【北大核心2014】；CSCD:【CSCD_E2015_2016】；

语种：中文

中文关键词：苯;甲醇;烷基化反应;基团贡献法

外文关键词：benzene;;methanol;;alkylation reaction;;group contribution method

摘要：基于Benson基团贡献法从热力学角度研究了苯和甲醇烷基化的反应过程，研究了主、副反应的反应热、吉布斯自由能和平衡常数，为该体系的工艺设计和催化剂研究提供热力学依据。研究结果表明：苯和甲醇烷基化反应体系的四个主反应均为放热反应、熵增反应，而主要的副反应多为熵减小的反应。四个主反应的吉布斯自由能变化均小于O，即在633-773K内能够自发进行。平衡常数计算表明：四个主反应的平衡常数接近，且均为不可逆反应。苯和甲醇烷基化体系的主要副产物为邻三甲苯和均三甲苯。高温有利于抑制这几种副产物的生成。
The process of alkylation reaction of benzene and methanol was studied thermodynamically based on functional group contribution method of Benson, and the reaction heat, Gibbs energy and equilibrium constant about major and minor reactions were calculated. This work provides the thermodynamic ground for the technological design of this system and catalyst research. The results showed that four major reactions of alkylation of benzene and methanol are exothermic and entropy-increase, while minor reactions are entropy-decrease. Four major reactions proceed spontaneously under 633-773 K because their Gibbs energy are all less than zero. These four major reactions are all irreversible and their equilibrium constant keep almost the same. The by-products of alkylation of benzene and methanol are mainly 1,2,3-trimethylbenzene and 1,3,5-trimethylbenzene. Higher temperature was found to restrain the formation of by-products.