合成戊二酸二异辛酯反应体系的热力学计算与分析  

Thermodynamics Calculation and Analysis of Synthesis of Diisooctyl Glutarate

作　　者：杜勇[1] 张春辉[1] 刘红研[1] 朱建华[1] 

机构地区：[1]中国石油大学化学科学与工程学院,北京102249

出　　处：《河北化工》2006年第2期10-12,16,共4页Hebei Chemical Industry

摘　　要：采用基团贡献法估算了反应体系中戊二酸、异辛醇和戊二酸二异辛酯在298.15 K标准状态下的生成焓和标准熵,并且估算了这3种物质的热容随温度变化的关系式,计算了不同温度条件下反应的吉布斯自由能和标准平衡常数。通过对该反应体系的热力学分析发现当达到平衡时该反应几乎可以进行到底,从而验证了该反应在热力学上的可行性。In this paper, the method of group contributions is applied to estimate the enthalpy and entropy of glutarate acid, isooctanol and diisoactyl glutarate in the specified reacting system under the standard state. The functional correlations between the heat capacity of these organic compounds and temperature are established. In addition, the Gibbs free energy and standard equilibrium constant of the reaction are calculated under the different temperature. Based on the thermodynamics analysis it can be found that the reaction can be almost carried on completely when the equilibrium is reached. Therefore the conclusion which the reaction is practicable in thermodynamics could be concluded.

关 键 词：戊二酸二异辛酯 热力学分析 平衡常数 基团贡献 

分 类 号：TQ225.242[化学工程—有机化工] O642.4[理学—物理化学]