1,1,2-三氯乙烷裂解反应体系热力学分析  

Thermodynamic analysis of 1,1,2-trichloroethane cracking reaction system

作　　者：葛翔 赵基钢[1] 吴诗勇 GE Xiang;ZHAO Ji-gang;WU Shi-yong(International Joint Research Center for Green Energy Chemical Engineering,School of Chemical Engineering,East China University of Science and Technology,Shanghai 200237,China;Key Laboratory of Coal Gasification,Energy and Chemical Engineering,Ministry of Education,School of Resources and Environmental Engineering,East China University of Science and Technology,Shanghai 200237,China)

机构地区：[1]华东理工大学化工学院绿色能源化工国际联合研究中心,上海200237 [2]华东理工大学资源与环境工程学院煤气化及能源化工教育部重点实验室,上海200237

出　　处：《应用化工》2023年第6期1626-1629,1636,共5页Applied Chemical Industry

基　　金：国家重点研发计划项目基金(2017YFB0306601)。

摘　　要：为探索温度对1,1,2-三氯乙烷裂解反应体系的影响,对该体系进行了热力学模拟计算。采用Aspen Plus V11中的反应器模块RGibbs并结合灵敏度模型分析工具,分别计算了单组分、无聚合反应以及发生聚合反应3种条件下各生成物在150~300℃下的平衡收率。热力学模拟结果表明:在标准状况下,1,1,2-三氯乙烷脱氯化氢生成偏二氯乙烯的主反应与生成顺-1,2-二氯乙烯、反-1,2-二氯乙烯的副反应均无法自发进行。主副反应均是吸热反应,当温度为150℃时,生成反-1,2-二氯乙烯和顺-1,2-二氯乙烯的副反应平衡转化率分别为最低和最高,1,1,2-三氯乙烷裂解反应的平衡转化率与温度成正比。当温度达到300℃时,平衡转化率均接近100%。通过Materials Studio的DMol-3模块对相关物质的热力学特性进行了验证。In order to explore the effect of temperature on the cracking reaction system of 1,1,2-trichloroethane,the thermodynamic simulation calculation of the system was carried out.The reactor module RGibbs in Aspen Plus V11 was adopted and combined with the sensitivity model analysis tool to calculate the equilibrium yield of each product at 150~300℃under three conditions of single component,no polymerization reaction and polymerization reaction.The thermodynamic simulation results show that under standard conditions,the main reaction of dehydrochlorination of 1,1,2-trichloroethane to produce vinylidene chloride and the side reaction of producing cis-1,2-dichloroethylene and trans-1,2-dichloroethylene cannot be spontaneous.The main and side reactions are endothermic reactions.When the temperature is 150℃,the equilibrium conversion of the side reactions to produce trans-1,2-dichloroethylene and cis-1,2-dichloroethylene is the lowest and the highest,respectively.The equilibrium conversion of 1,1,2-trichloroethane cracking reaction is directly proportional to the temperature.When the temperature reaches 300℃,the equilibrium conversion is close to 100%.The thermodynamic properties of related substances were verified by the DMol-3 module of Materials Studio.

关 键 词：裂解 热力学 反应器 模拟 

分 类 号：TQ322.2[化学工程—合成树脂塑料工业]