甲苯与甲醇侧链烷基化反应热力学分析  

Thermodynamic analysis of the side-chain alkylation of toluene with methanol

作　　者：宋兰兰[1,2] 李振荣[1] 赵亮富[1] 李文[3] 

机构地区：[1]中国科学院山西煤炭化学研究所应用催化与绿色化工实验室,山西太原030001 [2]中国科学院研究生院化学与化学工程学院,北京100049 [3]中国科学院山西煤炭化学研究所煤转化国家重点实验室,山西太原030001

出　　处：《天然气化工—C1化学与化工》2013年第1期46-50,共5页Natural Gas Chemical Industry

基　　金：国家高技术研究发展计划(863计划;2012AA051002)

摘　　要：采用原子矩阵法确定了甲苯、甲醇侧链烷基化体系的独立反应数,并建立平衡关系,计算了各个反应的平衡常数及反应平衡时平衡组分浓度。经分析表明:体系中绝大多数反应可以自发进行到很高程度;甲醇生成甲醛很困难,而甲醇和甲醛极易分解,提高甲醇的利用率是侧链烷基化反应的关键;适当提高反应温度可以增加苯乙烯选择性;甲醇分解平衡组成中氢气含量很低,并不会影响苯乙烯选择性的降低,提高苯乙烯选择性需要开发高选择性的催化剂,从动力学角度上抑制氢气的生成。The number of independent reactions of toluene side-chain alkylation with methanol was obtained by atomic matrix method. Equilibrium constants and equilibrium composition among the products of all those reactions were calculated through establishing equilibrium relationships with the methods from literature. The results showed that most of the reactions in models could proceed spontaneously. It is difficult to convert methanol to formaldehyde, while, methanol and formaldehyde decompose to CO and H, easily. Thus, improving the utilization rate of methanol is the key factor of toluene side-chain alkylation. Elevating the reaction temperature properly could increase the selectivity of styrene. The H_, equilibrium concentration in methanol decomposition reaction is so low that it＇s influence on the selectivity of styrene could be ignored. Developing an effective catalyst to inhibit the generation of H2 kinetically would be a useful method to enhance the selectivity of styrene.

关 键 词：热力学 甲苯 甲醇 侧链烷基化 苯乙烯 

分 类 号：TQ241.21[化学工程—有机化工] TQ013.1