CIESC Journal

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计算聚合物内压和新溶解度参数的基团贡献法

李忠辉; 凌政; 英徐根; 刘国杰   

  1. 华东理工大学化学系
  • 出版日期:2002-12-25 发布日期:2002-12-25

GROUP CONTRIBUTION METHOD FOR ESTIMATION INTERNAL PRESSURE AND NEW SOLUBILITY PARAMETER FOR POLYMERS

LI Zhonghui;LING Zheng;YING Xugen;LIU Guojie   

  • Online:2002-12-25 Published:2002-12-25

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.

Abstract: The products of the square - root of internal pressure A and the molar volume of the repeated unit Vm for various polymeric liquids at 298.15 K are plotted against their van der Waals volumes . A straight line through the origin of coordinates is obtained. This means that the A Vm of polymers has good group additivity . Therefore, a method of group contribution which can be used to predict the internal pressure of polymeric liquids is 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 from this method.