| UNIFAC-ZM活度系数模型预测聚合物溶液中溶剂扩散系数 |
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| 引用本文： | 刘庆林,龚雄辉.UNIFAC-ZM活度系数模型预测聚合物溶液中溶剂扩散系数[J].计算机与应用化学,2003,20(3):225-228. |
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| 作者姓名： | 刘庆林 龚雄辉 |
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| 作者单位： | 1. 厦门大学化学工程系,福建,厦门,361005
2. 厦门中坤化学有限公司,福建,厦门,361006 |
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| 基金项目： | 国家自然基金(50243014)，教育部留学回国人员科研启动基金 |
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| 摘 要： | 根据Vrentas-Duds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D0数值可改善预测结果。
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| 关 键 词： | UNIFAC－ZM 活度系数模型 预测 聚合物溶液 溶剂 扩散系数 自由体积 渗透蒸发 热力学 膜分离 |
| 文章编号： | 1001-4160(2003)03-225-228 |
| 修稿时间： | 2002年12月21 |
Prediction of mutual diffusion coefficients in polymer solutions using UNIFAC-related activity coefficient model |
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| LIU Qing-Lin,GONG Xiong-Hui.Prediction of mutual diffusion coefficients in polymer solutions using UNIFAC-related activity coefficient model[J].Computers and Applied Chemistry,2003,20(3):225-228. |
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| Authors: | LIU Qing-Lin GONG Xiong-Hui |
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| Abstract: | Using a simple activity coefficient model in conjunction with the Vrentas-Duda free volume theory, the diffusion behavior of small molecular solvents between and amongst polymer chains is then predicted for several polymer/solvent systems over a wide range of concentrations . The estimations are comparable with experimental data for some systems. For diffusion coefficients over and under-predicted systems, a pre-exponential factor Dg can be adjusted to improve the predictions. It is found that the UNIFAC-ZM model is a suitable alternative to the Flo-ry-Huggins equation for predicting mutual diffusion coefficients in polymeric solutions. |
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| Keywords: | pervaporation thermodynamics solvent diffusion coefficient free-volume |
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