草酸二乙酯气相加氢热力学计算与分析  

The Thermodynamics of Gas Phase Hydrogenation of Diethyl Oxalate

作　　者：田克胜[1] 王保伟[1] 许根慧[1] 

机构地区：[1]天津大学化工学院绿色合成与转化教育部重点实验室,天津300072

出　　处：《天然气化工—C1化学与化工》2007年第1期48-51,55,共5页Natural Gas Chemical Industry

摘　　要：利用Yoneda(ABWY)基团贡献法估算草酸二乙酯(DEO)的标准熵(S0)和乙醇酸乙酯(EG)的标准生成焓(△fH0)和标准熵(S0),用查到的各温度点的热容值拟合DEO、EG的等压热容曲线,综合手册中查到的该过程中各化合物的热力学数据,计算了该反应体系中涉及到的几个反应的反应热、熵变、反应吉布斯自由能和平衡常数,并对此进行了分析,从而为设计该加氢反应的工艺条件提供依据。The Yoneda（ABWY） group contribution method was used to estimate the standard entropy of diethyl oxalate（DEO）, the standard formation enthalpy and the standard entropy of ethyl glycolate（EG）. The constant pressure heat capacity of DEO and EG were estimated through the data of the different temperatures in the handbook. Together with the basis of the thermodynamic data obtained from the chemical handbooks, the enthalpy of reaction, entropy change, reaction Gibbs free energy and the equilibrium constant of the relevant reactions occurred in the reaction system were calculated and analyzed. The results provided basic information for the design of the reaction process.

关 键 词：草酸二乙酯 加氢 基团贡献法 估算 

分 类 号：O643.3[理学—物理化学]