乙醇和二氧化碳合成碳酸二乙酯体系的热力学分析  

THERMODYNAMIC ESTIMATION OF DIRECT SYNTHESIS OF DIETHYL CARBONATE FROM C_2H_5OH AND CO_2

作　　者：张立庆[1] 朱春凤[1] 史辰[1] 王静峰[1] 

机构地区：[1]浙江科技学院生物与化学工程学系,杭州310012

出　　处：《精细石油化工》2004年第3期30-33,共4页Speciality Petrochemicals

基　　金：浙江省教育厅重点科研计划项目(编号20030836)高校中青年学科带头人资助项目。

摘　　要：利用Benson基团贡献法计算了由CO2和乙醇直接合成碳酸二乙酯(DEC)以及引入环氧乙(丙)烷(EO或PO)进行耦合反应的热力学数据标准生成焓△fHm(?)和自由能△rG,还计算了由乙醇和CO2直接合成DEC的平衡常数Kp以及CO2、CO和乙醇的平衡转化率。结果表明由乙醇和CO2直接合成DEC的反应在热力学上是不可行的,需要设计其他反应路线。当引入载体EO或PO后就可成功地利用CO2和乙醇合成DEC。The standard heat of formation ΔfHm(?) and the free energy change ΔrG of direct synthesis of diethyl carbonate (DEC ) from EtOH and CO2 as well as the coupling synthesis with ethylene or pro pylene oxide (EO or PO) were calculated by the method of Benson group contribution, the equilibrium constant Kp and equilibrium conversion of CO2, CO and ethanol by direct synthesis were evaluated according to the chemical thermodynamics principles also. The results showed that the direct synthesis of DEC from C2H5OH and CO2 is unfeasible thermodynamically. Thus, it is necessary to design other reaction route. While EO or PO is introduce into this reaction system as carrier, the synthesis of DEC from CO2 and ethanol is practicable.

关 键 词：乙醇 二氧化碳 碳酸二乙酯 热力学分析 计算方法 逸度系数 气相反应 

分 类 号：O623.624[理学—有机化学]