摘要
用Benson基团贡献法计算了碳酸乙烯酯 (EC)、碳酸二苯酯 (DPC)和苯氧乙醇 (POE)的热力学数据△H0f、△G0 和Cp°对EC与苯酚的酯交换反应进行了热力学的分析 ,指出通过该反应来合成DPC在热力学上是不可行的 ,需设计其它的反应路线来利用EC合成DPC。
The standard heat of formation, free energy and heat capacity of ethylene carbonate (EC), diphenyl carbonate (DPC) and 2-phenoxy ethanol (POE) were calculated by the method of group contribution. A thermodynamic analysis of transesterification of EC and phenol was carried out with emphasis on calculation of equilibrium constants and conversions for the reaction. The results showed that direct synthesis of DPC with EC and phenol was not thermodynamically favorable. Thus, alternative approaches to production of DPC from EC and phenol were discussed here.
出处
《天然气化工—C1化学与化工》
CAS
CSCD
北大核心
2005年第1期21-26,共6页
Natural Gas Chemical Industry
关键词
碳酸乙烯酯
碳酸二苯酯
酯交换
热力学
ethylene carbonate
diphenyl carbonate
transesterification
thermodynamics
