高分子体系的溶剂吸附平衡预测  

Prediction of Solubility for Solvent/Polymer Mixture with UNIFAC-FV and GCLF-EOS Model

作　　者：王保国[1] 山口猛央[2] 中尾真一[2] 

机构地区：[1]清华大学化学工程系, [2]日本东京大学工学部化学系统工学专攻,

出　　处：《化学学报》2001年第6期961-967,共7页Acta Chimica Sinica

摘　　要：通过考察芳香族溶剂和聚丙烯酸酯混合过程内聚能和混合体积的变化,阐明剩余体积对高分子溶液体系相平衡的影响,在理论上比较UNIFAC-FV和GCLF-EOS模型.使用石英弹簧法测定25℃下苯、甲苯和乙苯在聚丙烯酸甲酯、聚丙烯酸丁酯和聚丙烯酸十二酯中的吸附曲线,分别用以上数学模型对其进行预测.由于GCLF-EOS模型以状态方程式作为基础,能够正确反映高分子溶液中分子间相互作用和剩余体积变化行为,模型预测结果和实验值基本一致.Polymer solution thermodynamic models, uniquac functional - group activity coefficient and free volume (UNIFAC - FV),and group contribution lattice fluid equation - of - state (GCLF - EOS) model, were evaluated both theoretically and experimentally, by investigating the effect of excess cohesive energy and excess volume on polymer solution phase behavior prediction for aromatic solvent mixing with poly (acrylate). Using a quartz spring method, this study measured sorption curve of benzene, toluene, and ethylbenzene in poly(methyl acrylate) (PMA), poly(n - butyl acrylate)(PBA), and poly(lauryl acrylate)(PLA) at 25 degreesC. GCLF - EOS model has the nature of equation - of - state, which enables accurate prediction of excess volume in sorption process, and provides good agreement of calculation results with the experiments.

关 键 词：UNIFAC-FV模型 GCLF-EOS模型 高分子溶液 剩余体积 相平衡 溶剂吸附平衡 聚丙烯酸酯 芳香族溶剂 

分 类 号：O631.4[理学—高分子化学] O645.164[理学—化学]