【摘要】 本文以预测聚合物玻璃化转变温度为例,提供了一种在微机上使用图形终端直接输入聚合物结构式,用基团贡献法预测聚合物性质的方法。依据这种方法,计算机可直观显示聚合物结构式,自动提取预测聚合物性质所需要的结构特点,通过一个小型的聚合物基团物性数据库检索系统,自动计算预测所要求的聚合物性质。更多还原

【Abstract】 A method for estimating polymer properties, such as the glass transition temperature Tg, using organic group-additivity calculation by imputing the structual data of polymers directly to a IBM-PC microcomputer through a graphical terminal has been investigated and proposed. According to this method the computer can display graphically the macromolecular structure formulae on the terminal, find out automatically the organic structure characteristics which meet the needs for estimation, and calculate the polymer properties wanted by examining an indexed property database of macromolccular structure groups.更多还原