摘要
采用基团贡献法估算了反应体系中己二酸和己二酸二甲酯在298.15 K标准状态下的生成焓和标准熵,并且估算了这两种物质的比热容随温度变化的关系式,计算了不同温度条件下反应的焓变、吉布斯自由能变和标准平衡常数。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。
The group contribution method was applied to estimate the enthalpy and entropy of adipic acid and dimethyl adipate in the specified reacting system under the standard state. The functional correlations between the heat capacity of these organic compoundsand temperature were established. In addition, the Gibbs free energy and standard equilibrium constant of the reaction were calculated under different temperatures. Based on the thermodynamics analysis, it＇s found that the reaction can be almost carried out completely when reaching the equilibrium. Therefore the conclusion that the reaction is practicable in thermodynamics has been verified.
出处
《当代化工》
CAS
2011年第12期1305-1308,共4页
Contemporary Chemical Industry
关键词
热力学分析
基团贡献法
己二酸二甲酯
Thermodynamics analysis
group contribution method
Dimethyl adipate
