【摘要】 综述了近年来分子模拟技术在聚酰亚胺结构与性能关系方面的研究内容与基本方法。显示出了计算机模拟技术在研究材料结构与性能关系上的高效、逼真及重要性——对聚酰亚胺的实验起到验证及指导性作用,并对具有一定特殊结构的PI所具有的性能做出预测,最后阐述了计算机模拟在该领域的发展方向。更多还原

【Abstract】 With the development of computer hardware and software, molecular simulation has been playing more and more important roles in polyimide field, especially in the study relationship of structure-property. This paper concentrates on the topic of detailed molecular simulation of polyimide chemical structures and its physical property relationship, introducing the research methods and application in research of polyimide, and discussing its development prospect in this field, with the goal of outlining the development and present situation of computer simulation in polymer science.更多还原