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聚合物溶液中溶剂活度计算方法的比较

COMPARING THE ESTIMATION METHODS OF SOLVENT ACTIVITIES IN POLYMER SOLUTIONS
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摘要 用Flory-Huggins法、Hell-Prausnitz法、UNIFAC-FV法计算了丙酮-乙酸乙醇-聚乙酸乙烯、内酮-甲醇-聚乙酸乙烯、甲苯-乙苯-聚苯乙烯、甲苯-环己烷-聚苯乙烯等四个三元体系和分别含有聚苯乙烯、聚乙酸乙烯的十个二元溶液体系的溶剂活度值,并与文献中的实测值进行了比较。结果表明,以 Hei1-Prausnitz 法计算的精度最高,UNIFAC-FV 法均方误差略高于 Heil-Prausnitz法。由于用 UNIFAC-FV法计算时无需通过实验求出相互作用参数,故推荐在工程设计中应用。Florg-Huggins法不宜用于聚合物与不良溶剂形成的体系。 Flory-Huggins,Heil-Prausnitz and UNIFAC-FV methods were used for estimating the solvent activities for acetone-ethyl acetate-polyvinyl-acetate, acetone-methanol-polyvinylacetate, toluene-ethyl benzene-polystyrene, toluene-cyclohexane-polystyrene systems and 10 binary systems which consisted of polyvinylacetate or polystyrene with one solvent mentioned above.The results were compared with the experimental datapublished in literatures.Among the three methods, the Heil-Prausnitzmethod could possess the smallest average error.However for using this method, it must have interaction parameters, which are generally obtained by lengthy and complicated experiments.The UNIFAC-FV method is a group-contribution method,for the estimation,only the molecular formulas of components are required.Therefore, the UNIFAC-FV method is recommended although its average error is a little larger than Heil-Prausnitz method.The Flory-Huggins method is unsuitable to those polymer solutions which consist of polymer and poor solvents.
作者 陈谧闻
机构地区 浙江大学化工系
出处 《合成橡胶工业》 CAS CSCD 北大核心 1989年第3期150-156,共7页 China Synthetic Rubber Industry
关键词 聚合物 溶液 溶剂活度 计算 polymer solution solvent activity vapor-liquid equilibrium UNIFAC-FV model
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参考文献1

  • 1冯地柏.UNIFAC-FV模型向多组元体系的扩展[J]合成橡胶工业,1987(03).

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