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
收藏
页码：827 / 828
页数：2
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