摘要
采用基团贡献法分别对丁二醇与丁二酸(反应(1))、丁二醇与丁二酸酐(反应(2))和丁二醇与丁二酸二甲酯(反应(3))合成聚丁二酸丁二醇酯的反应进行了热力学计算与分析,得到了298.15~498.15 K内的反应摩尔焓变、摩尔Gibbs自由能变以及平衡常数与温度的关系。分析结果表明,反应(1)^(3)均可自发进行;反应(2)放热,反应(1)和(3)在液态时放热,在气态时吸热;反应(1)^(3)的平衡常数较大,表明反应进行的可行性;反应(2)的摩尔Gibbs自由能变更小,平衡常数更大,表明该反应更容易发生。
Thermodynamic analysis for the synthesis ofpoly（butylene succinate） from 1,4-butanediol and succinic acid （reaction （1））,1,4-butanediol and succinic anhydride （reaction （2））,or 1,4-butanediol and dimethyl succinate（reaction （3）） were conducted by group contribution methods.The relationships between the molar enthalpy changes,molar Gibbs free energy changes and equilibrium constants of the reactions,and temperature in the range of 298.15-498.15 K were established.The results showed that reactions （1）-（3） could take place spontaneously; reaction （2） was exothermic,and reactions （1）,（3） were exothermic in liquid state and endothermic in gas state;all the equilibrium constants of reaction （1）-（3） were large,which indicated that the reactions were feasible.Moreover,reaction （2） was the easiest due to its small molar Gibbs free energy change and large equilibrium constant.
出处
《石油化工》
CAS
CSCD
北大核心
2014年第3期293-298,共6页
Petrochemical Technology
关键词
聚丁二酸丁二醇酯
丁二醇
丁二酸
热力学分析
基团贡献法
poly（butylene succinate）
butanediol
succinic acid
thermodynamic analysis
group contribution
