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根据Vrentas-Duda自由体积理论,结合基于UNIFAC活度系数模型,在较宽的浓度范围内预测了聚合物溶液中小分子的扩散行为。对某些聚合物体系,计算结果和实验数据基本一致。表明UNIFAC-ZM模型可代替Flory-Huggins方程用于预测聚合物溶液中小分子扩散系数。调节自由体积模型中的指前因子D_0数值可改善预测结果。
According to Vrentas-Duda theory of free volume, combined with the UNIFAC activity coefficient model, the diffusion behavior of small molecules in polymer solution was predicted over a wide range of concentrations. For some polymer systems, the calculated results are in good agreement with the experimental data. It is shown that the UNIFAC-ZM model can replace the Flory-Huggins equation for predicting small molecule diffusion coefficients in polymer solutions. Adjusting the pre-exponential factor D_0 in the free-volume model improves the prediction.