聚合物-溶剂体系中溶剂的活度模型  

A new activity model for polymer-solvent systems

作　　者：黄宇[1] 程振锋[1] 刘庆林[1] 

机构地区：[1]厦门大学化学化工学院化学工程与生物工程系,福建厦门361005

出　　处：《化工学报》2006年第9期2039-2042,共4页CIESC Journal

基　　金：国家自然科学基金项目(50573063);高等学校博士点专项基金(20050384013).~~

摘　　要：引言GE模型与溶液的活度因子等紧密相联,在计算流体相平衡中具有重要地位.经过以van Laar、Margules方程与Wilson、NRTL关联式以及UNIQUAC和UNIFAC模型为代表的三个阶段的发展,预测准确度已达到实验误差范围,能较好地关联多组分体系的汽液平衡,在电解质溶液、高分子溶液及高度非理想体系中结果亦较满意.A new molar excess Gibbs energy （GE） expression for the correlation of vapor-liquid phase behavior for polymer solutions was developed from the Gibbs-Helmholtz relation, and a new activity model for polymer solutions based on the GE expression was then derived by accounting for the free volume effect. The model includes a combinatorial part, a residual part and also a free volume part. The calculated results by the present method were compared with those from the EFV, UFV and UNIFAC models. The average absolute deviation of solvent activities in 14 polymer solutions was 8. 41% for EFV, 7.74% for UFV, 19.05% for UNIFAC and 3.52% for the present model. It is shown that the present model yields improved results over the other models and is able to describe the phase behavior for some polymer solutions over a wide range of concentration.

关 键 词：Entropic-FV模型 UNIFAC-FV模型 超额Gibbs自由能 高分子溶液热力学 

分 类 号：O623[理学—有机化学]