甘油与氯化氢合成二氯丙醇热力学分析

利用Benson基团贡献法计算了298K时气态二氯丙醇的标准熵;利用Rùzicka-Domalski基团贡献法计算了二氯丙醇液态的摩尔等压热容。结合其他已知的热力学数据,计算了由甘油合成二氯丙醇反应中涉及的反应焓变、反应熵变、反应吉布斯自由能变和标准平衡常数。结果表明,该反应是一个放热反应;反应在298K~408K范围内是热力学上可自发进行的反应;反应的适宜温度为373K~408K。

Thermodynamic analysis on the synthesis of dichloropropanol from glycerol and hydrogen chloride

The standard entropy of gaseous dichloropropanol at 298 K was calculated by the method of Benson group contribu-tion and the heat capacity of liquid dichloropropanol was calculated by the method of Rùzicka-Domalski group contribution.Based on the above thermodynamic data and those from literature,the thermodynamic data on synthesis reaction of dichloropropanol,including reaction enthalpy,entropy,the Gibbs free energy,and the standard equilibrium constant,were calculated.The results showed that the synthesis reaction was exothermic and thermodynamically feasible from 298 K to 408 K.The optimal temperature was 373 K~408 K.