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根据Gibbs-Helmholtz热力学基本关系式,结合溶液晶格模型推导出适合聚合物体系的活度系数模型,该模型方程含有结合项、剩余项和自由体积项。将其与Entropic-FV(EFV)、UNIFAC-FV及UNIFAC模型,同时用于预测14个由PIB、PS和PPO等聚合物与苯、甲苯和丁烷等溶剂组成的聚合物-溶剂体系中溶剂的活度,并与实验数据进行比较,活度的平均偏差分别为3.98%、6.61%、4.92%、19.19%。计算结果显示该模型的预测精度高于其它3种常用的聚合物、溶剂体系的溶剂活度模型。
Based on the Gibbs-Helmholtz thermodynamic basic equation and the solution lattice model, the activity coefficient model of polymer system is deduced. The model equation contains the binding term, residual term and free volume term. Simultaneously, it was used to predict the solubility of 14 solvents in polymer-solvent systems consisting of polymers such as PIB, PS and PPO with solvents such as benzene, toluene and butane, and Entropic-FV (EFV), UNIFAC-FV and UNIFAC The average activity was 3.98%, 6.61%, 4.92% and 19.19%, respectively, compared with the experimental data. The calculation results show that the prediction accuracy of this model is higher than that of the other three commonly used polymer and solvent systems.