Molecular Dynamics Simulation of Glass Transition Behavior of Polyimide Ensemble

被引：0

作者：

Tai Ning LIANG

机构：

来源：

Chinese Chemical Letters | 2001年 / 09期

关键词：

Glass transition temperature; molecular dynamics simulation;

D O I：

暂无

中图分类号：

O632 [碳链聚合物];

学科分类号：

070305 ; 080501 ; 081704 ;

摘要：

The effect of chromophores to the glass transition temperature of polyimide ensemble has been investigated by means of molecular dynamics simulation in conjunction with barrier analysis. Simulated Tg results indicated a good agreement with experimental value. This study showed the MD simulation could estimate the effect of chromophores to the Tg of polyimide ensemble conveniently and an estimation approach method had a surprising deviation of Tg from experiment. At the same time, a polyimide structure with higher barrier energy was designed and validated by MD simulation.

引用

页码：827 / 828

页数：2

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