文献类型：期刊文献

中文题名：计算聚合物内压和新溶解度参数的基团贡献法

英文题名：GROUP CONTRIBUTION METHOD FOR ESTIMATION INTERNAL PRESSURE AND NEW SOLUBILITY PARAMETER FOR POLYMERS

作者：李忠辉[1];凌政[1];英徐根[1];刘国杰[1]

机构：[1]华东理工大学化学系,上海200237

年份：2002

卷号：53

期号：12

起止页码：1288

中文期刊名：化工学报

外文期刊名：CIESC Journal

收录：CSTPCD;;EI(收录号：2004398378421);Scopus;北大核心:【北大核心2000】；CSCD:【CSCD2011_2012】；

基金：国家自然科学基金资助项目(No.29676011).

语种：中文

中文关键词：基团贡献法;聚合物;内压;新溶解度参数;摩尔引力常数;修正

外文关键词：Estimation;Pressure;Solubility;Van der Waals forces

摘要：将298.15 K时各种液态聚合物的内压平方根λ和重复单元的摩尔体积Vm的乘积对它们的van derWaals体积作图时,发现是一条通过坐标原点的直线.这意味着聚合物的λVm具有良好的基团加和性.据此,建立了一个能满意地预测聚合物内压的基团贡献法.结合Small的基团摩尔引力常数,该基团贡献法也能用来计算液态聚合物在298.15 K时的新溶解度参数值.
The products of the square-root of internal pressure λ and the molar volume of the repeated unit Vm for various polymeric liquids at 298.15 K were plotted against their van der Waals volumes. A straight line through the origin of coordinates was obtained. This means that the λVm of polymers has good group additivity. Therefore, a method of group contribution which can be used to predict the internal pressure of polymeric liquids was established. Combining with Small's molar-attraction constants, the values of new solubility parameter defined by the authors' previous work for various polymers at 298.15 K can be obtained by this method.