马来酸二甲酯加氢制1,4-丁二醇的热力学分析

采用Renson和Joback基团贡献法对马来酸二甲酯（DMM）、琥珀酸二甲脂（DMS）、1，4-丁二醇（BDO）在298K标准状态下的生成焓、熵以及热容等数据进行了估算。通过对合成1，4-丁醇反应体系的热力学计算，分别得到反应热容、焓变、自由能变以及反应的平衡常数与温度的关系。在此基础上对该反应体系进行了热力学分析，发现高温虽然可提高反应速率，但却会降低１，４-丁二醇的选择性。

Thermodynamics Calculation and Analysis of Hydrogenation of Dimethyl Maleate to 1,4-Butanediol

The heat capacity,enthalpy and entropy of dimethylmaleate,dimethyl fumarate and 1,4-butanediol under the standard state were estimated by the method of group contributions in this paper. The functional correlations between the heat capacity, enthalpy of these compounds and temperature were established. In addition, the Gibbs free energy and standard equilibrium constants of the reactions were calculated under different temperature. Based on the thermodynamics analysis it can be found that the selecfivity of 1,4-Butanediol decreases with the increasing of temperature, although .the reaction rate will increase.