Abstract: A segment - based molecular thermodynamic model is developed to calculate the Gibbs energy of nonionic surfactant solutions. The critical micellar concentrations of five single aqueous surfactant systems at different temperatures are correlated. The critical micellar concentrations of fourteen single aqueous surfactant systems at different temperatures are predicted by using the adjustable parameters. The predicted values are satisfactory. Compared with the Chen-NRTL model, this model has better accuracy and good prediction function.

摘要： 将非离子表面活性剂划分为链节,建立了一个计算混合Gibbs自由能的分子热力学模型,对不同温度下的5个非离子表面活性剂-水体系的临界胶束浓度进行了关联,并利用得到的参数预测了不同温度下其他14个表面活性剂体系的临界胶束浓度,关联与预测结果均令人满意。与Chen-NRTL模型相比,本模型计算精度较好,具有预测功能。