改进PSRK模型预测高分子溶液的活度系数  

Prediction of activity coefficients of polymer solutions using modified PSRK model

作　　者：景孔华[1] 康惠宝[1] 王利生[1] 

机构地区：[1]北京理工大学化工与环境学院,北京100081

出　　处：《计算机与应用化学》2005年第11期1001-1004,共4页Computers and Applied Chemistry

摘　　要：为了更好地预测高分子溶液的活度系数,结合简化的EOS／GE混合规则,建立了改进基团贡献状态方程PSRK(Pre- dietive Soave-Redlich-Kwong)模型,外推法得到无限稀释活度系数。考虑了自由体积效应对溶液的过量Gibbs自由能的贡献。该模型形式较为简单,其预测结果与实验值具有较好的一致性,优于其他基团贡献型模型。Using the simplified EOS/G^E mixing rule, the modified PSRK model was established in this paper. With this model, can predict activity coefficients of solvent-polymer solutions over a wide range of concentrations. Infinite dilution activity coefficients were predicted by extrapolation method. The free volume contribution to the excess Gibbs energy for the solvent-polymer solutions was taken into account. The results of this paper show that the model is a simple, reliable model with satisfying accuracy, which is better than other group contribution model.

关 键 词：PSRK 活度系数 基团贡献 高分子溶液 

分 类 号：TQ126.3[化学工程—无机化工]