文献类型：期刊文献

英文题名：Effects of Branch Content and Branch Length on Polyethylene Crystallization: Molecular Dynamics Simulation

作者：Gao, Rui[1];He, Xuelian[1];Shao, Yunqi[1];Hu, Yanling[1];Zhang, Haiyang[1];Liu, Zhen[1];Liu, Boping[1]

机构：[1]East China Univ Sci & Technol, State Key Lab Chem Engn, 130 Meilong Rd, Shanghai 200237, Peoples R China

年份：2016

卷号：25

期号：3

起止页码：303

外文期刊名：MACROMOLECULAR THEORY AND SIMULATIONS

收录：;EI(收录号：20162202443037);WOS:【SCI-EXPANDED(收录号:WOS:000383689100008)】；

基金：This work was financially supported by the National Natural Science Foundation of China (No. 51003027), the research program of the State Key Laboratory of Chemical Engineering, the Fundamental Research Funds for the Central Universities and the Program of Introducing Talents of Discipline to Universities (B08021) and China Scholarship Council (No. 201406740018).

语种：英文

外文关键词：branch content; branch length; molecular dynamics simulation; polyethylene; trans-rich state

摘要：Influences of branch content (BC) and branch length (BL) on isothermal crystallization of precisely branched polyethylene are studied by molecular dynamics simulation. Branch acts as a defect both in nucleation and crystal growth process. BC affects not only crystallization kinetics but also final morphologies. Crystallization rate and crystallinity decrease as BC increases. Morphology Regimes change from lamellae crystal to bundle crystal at critical BC (20/1000 C) because of different folding pattern. 50 CH2 is the critical methyl sequence length to form lamellae crystal. Lamellae thicknesses of final morphologies decrease in gradient corresponding to Morphologies Regimes. BL has no influence on the crystallization kinetics, and only affects the final morphologies when more branches inclusion happens with BL increasing. Trans-rich phenomenon in pre-crystalline state is observed. Crystallization process begins at the end of induction stage when trans state population reaches a critical value, and this value is independent of BC and BL.