Entropic-FV修正模型预测聚合物体系溶胀行为  

A modified Entropic-FV model for the prediction of swelling behavior of polymers

作　　者：程振锋[1] 刘庆林[1] 

机构地区：[1]厦门大学化学工程与生物工程系,福建厦门361005

出　　处：《计算机与应用化学》2005年第7期505-508,共4页Computers and Applied Chemistry

基　　金：国家自然科学基金资助项目(50243014)

摘　　要：Entropic-FV(EFV)修正模型是对原模型的自由体积分数项进行修改而获得,前者与后者具有相同的统计力学基础,且表达式简单,无需增加模型参数。将其用于聚乙二醇/甲醇二元体系中组分活度的计算,或与UNIQUAC-HB模型结合对聚乙烯醇膜/乙二醇/水和聚氨酯/正己烷/苯三元体系的溶胀平衡组成进行预测,并与EFV和原修正模型的预测结果以及文献值进行比较,结果显示该模型预测的准确度最高、稳定性较好。A modified model in this work was presented based on the entropic free-volume model which was proposed by Elbro arc. It is similar in the form to the original model except that the free volume fraction item was modified simply with the denominator multiplied by a coefficient. The new model was evaluated by using it to predict solvent activity in the binary system of methanol/polyethylene glycol（PEG）. And it＇s applied also to estimate phase equilibrium data in the ternary systems of glycol/water/poly（ vinyl alcohol）（PVA） and hexane/benzene/polyurethane（PU） with the aid of using UNIQUAC-HB model to calculate the solvent activities in the liquid phases. It＇s found that the estimations via this model are the best compared to other existing entropie expressions; it is also convenient to use since no additional information is needed.

关 键 词：Entropic—FV模型 修正模型 硬壳体积 相平衡 

分 类 号：O623.611[理学—有机化学]