应用分子聚集模型计算醇类的气体热容及其缔合常数

Calculation of vapor heat capacity and equilibrium constants of association for alcohol using the model of molecular aggregation

应用分子聚集模型修正的维里方程导出计算气体热容的表达式,关联了11种汽相缔合的低级脂肪醇的气体热容与温度的关系,计算值与量热实验值符合得很好,表达出醇类气体热容的高度非理想性.在此基础上,求得醇的分子缔合平衡常数,与文献数据吻合.

Expression for calculating vapor heat capacity was derived from the virial equation corrected by using the model of molecular aggregation. The relationship between vapor heat and temperature for 11 kinds of vapor associated lower aliphatic alcohols was correlated. The calculated vapor heat capacities were in good agreement with the observed data from the calorimetric experiment. Furthermore, the association equilibrium constants of these alcohols were obtained and the values were comparable to those in literatures.