摘要
采用Benson基团贡献法计算了碳酸乙烯酯与醋酸苯酯酯交换反应相关物质的标准摩尔生成焓、标准摩尔熵和等压摩尔热容;计算了373～473 K反应温度内由碳酸乙烯酯和醋酸苯酯合成碳酸二苯酯反应体系中涉及到的主副反应焓变、熵变、吉布斯自由能变和平衡常数.计算结果表明,该反应为放热反应,升高温度不利于碳酸二苯酯的生成;合成碳酸二苯酯的酯交换反应为自发过程,而热力学平衡常数较小.为提高碳酸二苯酯的收率,需要开发高效的催化剂和深入研究反应工艺.
The standard molar enthalpy of formation,the standard molar entropy and isobaric molar heat capacity of the substances in the synthesis of diphenyl carbonate（DPC） from ethylene carbonate（EC） and phenyl acetate（PA） were calculated base on the Benson group contribution method.The change of enthalpy,entropy,Gibbs free energy and equilibrium constant of the main and side reactions were also calculated and discussed at the temperature range of 373-473 K.The results show that the transesterification is an exothermic reaction and higher temperature is not favor of synthesis of DPC;EC can react spontaneously with PA.To overcome the low thermodynamic equilibrium constant limitation and increase the yield of DPC,the high efficiency catalysts and reaction process must be investigated.
出处
《武汉工程大学学报》
CAS
2012年第8期1-5,23,共6页
Journal of Wuhan Institute of Technology
基金
国家自然科学基金重点项目(20936003)
湖北省自然科学基金重点项目(2008CDA009)
关键词
碳酸二苯酯合成
酯交换
热力学分析
基团贡献法
diphenyl carbonate synthesis； transesterification； thermodynamic analysis； group contribution methods
