用于聚合物溶液扩散系数计算的活度系数模型比较

用40个聚合物溶液体系的实验数据，对三个有代表性的活度系数模型用于计算联系自扩散系数和互扩散系数的热力学因子的精度进行了比较，结果表明三个模型的精度相近，误差一般在20％左右。，因而本工作揭示了聚合物溶注保由自扩散系数计算与扩散系数的一个潜在问题。即由于活度系数模型计算热力学因子误差较大所带来的较大不确定性。

Comparison of the Activity Coefficient Models for the Calculation of Diffusion Coefficients of Polymer Solutions

Three representative activity coefficient models were compared for the calculation of the thermodynamic factor relating self\|to mutual\|diffusion coefficients of polymer solutions using the experimental data of 40 polymer solution systems.The calculated results show that the three models have similar accuracy,and the AADs are around 20%.This work shows a potential problem in the calculation of mutual\|diffusion coefficients from self\|diffusion coefficients,that is,the big uncertainty caused by the calculation of the thermodynamic factor with an activity coefficient model.