乙二醇合成巯基乙醇的热力学计算模拟研究  

Study On Simulation Thermodynamic Calculation of Mercaptoethanol from Ethylene Glycol

作　　者：郝红英[1] 田恒运[1] 任凯文 张坤鹏 Hao Hongying;Tian Hengyun;Ren Kaiwen;Zhang Kunpeng(Medical School,HuangHe Science and Technology College,Zhengzhou 450063,China)

机构地区：[1]黄河科技学院医学院,河南郑州450063

出　　处：《山东化工》2021年第24期187-190,共4页Shandong Chemical Industry

基　　金：河南省高等学校青年骨干教师培养计划(2018GGJS177);河南省医学科技攻关计划联合共建项目(LHGJ20191517);河南省重点学科工程项目(教高〔2018〕119号);黄河科技学院创新创业示范课(JCXK201718);河南省民办普通高等学校学科专业资助建设项目:医学检验技术。

摘　　要：目的:研究了由乙二醇合成巯基乙醇的热力学数据,并通过模拟得出乙二醇合成巯基乙醇的较佳条件。方法:通过查询反应体系的热力学数据计算标准生成焓和标准熵;采用Aspen Plus V8.4软件的平衡反应器REquil模块对乙二醇和硫化氢反应合成巯基乙醇,考察温度、压力、投料比等因素对热力学平衡时各组分的物质的量的影响。结果:得出较佳的反应条件,当温度在100℃,物料比n(EG)∶n(H_(2)S)=55∶46,压强24.58 kPa时用乙二醇合成巯基乙醇的反应条件最佳。结论:经过热力学计算和模拟,由乙二醇和硫化氢合成巯基乙醇热力学上是可行的。Objective:The thermodynamic data of the synthesis of mercaptoethanol from ethylene glycol are studied,and the better thermodynamic conditions for the synthesis of thiol ethanol from ethylene glycol are obtained by simulation.Method:Standard enthalpy and standard entropy were calculated by the thermodynamic data of the reaction system.Through the balance reactor Requil model of Aspen Plus V8.4 software for the reaction of ethylene glycol and H_(2)S to synthesize mercaptoethanol,the effects of temperature,pressure,feed ratio and other factors on the amount of substances in the thermodynamic equilibrium were investigated.Results:The better reaction conditions were obtained:when the temperature was 100℃,the material ratio was n(EG)∶n(H_(2)S)=55∶46,and the reaction conditions for the synthesis of mercaptoethanol with ethylene glycol at a pressure of 24.58 kPa were optimal.Conclusion:It is feasible to synthesize mercaptoethanol from ethylene glycol and H_(2)S by thermodynamic calculation and simulation.

关 键 词：巯基乙醇 乙二醇 热力学分析 REquil模块 

分 类 号：TQ214[化学工程—有机化工]