摘要
概述了反式-1,4-聚异戊二烯(TPI)结晶行为的研究进展,如晶型的确定、晶型的形成条件、结晶的热力学和动力学过程、晶型之间的相互转化。其中重点介绍了TPI晶型的确定、α-晶型、β-晶型的反式-CTS-反式-CTS与反式-S^-TS分子链构象研究进展。对近年来分子模拟技术在结晶方面的相关研究,如TPI晶型的构建、多相体系的结晶状态、凝聚态下晶体的相关性质、复杂体系下的结晶过程、动态环境下分子结晶的动态行为模拟研究进行了介绍,包括晶型的构建,如α-晶型、β-晶型的空间原子坐标与各向同性、各向异性之间的内在关系。
Recent studies on the crystallization behavior of trans-1,4-polyisoprene(TPI)were summarized,such as the determination of the crystal form,the formation conditions of the crystal form,the thermodynamic and kinetic processes of the crystallization,and the mutuality between the crystal forms.Then this paper highlighted the determination of crystal forms of trans-1,4-polyisoprene(TPI)focused on the molecular chain conformation ofαcrystal andβcrystal,which are trans-CTS-trans-CTS and trans-[AKS-]TS.Researches on the crystallization of molecular simulation in recent years,such as the construction of trans-1,4-polyisoprene(TPI)crystals,the crystallization state of multiphase systems,the related properties of crystals in condensed states,the crystallization processes in complex systems,and the dynamic behavioral simulation of molecular crystallization in dynamic environments were introduced,including the construction of crystal forms,such as the intrinsic relationship between the spatial atomic coordinates ofαandβcrystals and isotropic,anisotropy.
作者
吴剑铭
王小蕾
汤琦
石雪龙
宗成中
王春芙
Jianming Wu;Xiaolei Wang;Qi Tang;Xuelong Shi;Chengzhong Zong;Chunfu Wang(School of Polymer Science and Engineering Qingdao University of Science and Technology,Qingdao 266042,China)
出处
《高分子材料科学与工程》
EI
CAS
CSCD
北大核心
2019年第7期167-174,共8页
Polymer Materials Science & Engineering
基金
国家国际科技合作专项资助(2015DFR50210)
山东省自然科学基金资助项目(ZR2016XJ002)
关键词
反式-1
4-聚异戊二烯
结晶
晶型
构象
分子模拟
trans-1,4-polyisoprene
crystal
crystal form
conformation
molecular simulation
