文献类型：期刊文献

中文题名：聚合物的分子拓扑结构与物性的关联

英文题名：Correlation Between Molecular Topological Structure and Property of Polymer

作者：张引沁[1];田维[2]

第一作者：张引沁

机构：[1]平原大学化工系，河南新乡453003;[2]河南省科隆公司，河南新乡453000

第一机构：新乡学院化学化工学院

年份：2002

卷号：19

期号：4

起止页码：38-40

中文期刊名：平原大学学报

外文期刊名：Journal of Pingyuan University

语种：中文

中文关键词：聚合物;分子拓扑结构;物性;分子拓扑指数;遗传算法;结构;性质;玻璃化温度

外文关键词：molecular topological index; genetic algorithms; polymer; structure and property correlate;glasstransition temperature

摘要：应用分子拓扑指数来定量描述分子结构,采用遗传算法来选择与物性相关的分子连接性指数,通过多元线性回归分析建立分子拓扑结构与物性的关联方程.采用此方法,本文研究了66种聚合物的玻璃化温度(Tg)与分子拓扑结构的关系,并对12种聚合物的玻璃化温度进行了推算,结果表明聚合物的玻璃化温度与分子连接性指数有较好的相关性.
Molecular topological indexes are employed to express molecular structure. Genetic algorithms are employed to select the molecular connectivity indices relevant to the property. The structure-property correlate equations are established by using many-variant linear regression analysis. Using the method, the regression equations of molecular topological structure and glass transition temperatures (Tg) of 66 polymers correlate have been discussed, and glass transition temperatures of 12 polymers have been predicted. The results show that correlating glass temperatures of polymers with the molecular connectivity indices is satisfaction.