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

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.