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POSS改性邻苯二甲腈玻璃化转变温度的模拟与预测
Simulation and Prediction of Glass Transition Temperature of Phthalonitrile Modified by POSS
【摘要】 为了筛选并预测POSS改性对邻苯二甲腈耐热性的影响,本文构建了含有环氧基和胺基的POSS-邻苯二甲腈结构,利用分子动力学模拟方法对其玻璃化转变温度进行模拟与预测。研究表明,POSS改性邻苯二甲腈聚合物体系的比体积随温度变化会在玻璃化转变温度处发生转折,玻璃化转变温度有不同程度的提高,与实验结果基本吻合。
【Abstract】 In order to choose and predict the influence on the heat resistance of phthalonitrile modified by POSS,POSS-phthalonitrile structurecontaining epoxy and amine groupwas constructed in this paper,and glass transition temperature was simulated and predicted by molecular dynamics simulation. It was found that the specific volume ofphthalonitrile modified by POSSchanged with temperature at Tg,and glass transition temperature of phthalonitrile modified by POSSincreased to different degree,which was consistent with the experimental result.
【关键词】 邻苯二甲腈；
POSS；
玻璃化转变温度；
分子动力学模拟；
【Key words】 phthalonitrile； POSS； glass transition temperature； molecular dynamics simulation；
【Key words】 phthalonitrile； POSS； glass transition temperature； molecular dynamics simulation；
- 【文献出处】 纤维复合材料 ,Fiber Composites , 编辑部邮箱 ,2021年01期
- 【分类号】TQ323
- 【下载频次】228