摘要
采用Benson和Joback基团贡献法对碳酸二甲酯(DMC)或碳酸二苯酯(DPC)与1,4-丁二醇(BD)合成聚碳酸酯二醇(PCDL)的酯交换反应体系进行了热力学分析,计算了反应焓变、反应熵变、反应吉布斯自由能变及平衡常数。计算结果表明,两个反应均为放热反应,升高温度不利于PCDL的合成。在373～473 K之间,DPC与BD的酯交换反应为自发过程,而DMC与BD的酯交换反应为非自发过程;且两个酯交换反应相比,DPC与BD酯交换反应的平衡常数较大,反应进行得较完全。
The enthalpy changes, entropy changes, Gibbs free energy changes and equilibrium constants in transesterifications of dimethyl carbonate （ DMC ） or diphenyl carbonate （ DPC ） with 1,4- butanediol （BD） to polybarbonate diols were calculated by using Benson and Joback group contribution methods. The results show that two reactions are exothermic so increasing of temperature is unfavorable to the synthesis. DPC can react spontaneously with BD, while reaction of DMC and BD is nonspontaneous. The reaction equilibrium constant of DPC and BD is larger than that of DMC and BD between 373 K and 473 K.
出处
《石油化工》
CAS
CSCD
北大核心
2009年第9期961-965,共5页
Petrochemical Technology
