支化(高分子化学)
结晶
成核
聚合物结晶
材料科学
聚合物
线型聚合物
分子动力学
化学物理
结晶学
高分子化学
热力学
化学
计算化学
物理
复合材料
作者
Tongfan Hao,Wenxue Gao,Jiayu Wang,Zhiping Zhou,Yongqiang Ming,Yijing Nie
出处
期刊:Journal of Polymer Engineering
[De Gruyter]
日期:2023-05-08
卷期号:43 (6): 526-536
标识
DOI:10.1515/polyeng-2023-0026
摘要
Abstract The linear and star polyethylene during static crystallization and stretch-induced crystallization has been investigated by molecular dynamics simulations. The findings demonstrate that the branching point of the star polymer system does not participate in crystallization, and the crystallization ability of the segments near the branching point and at the end of the chains is inferior. Due to the existence of branching points, the mobility and conformational extension of chain segments are weak, and the entanglement degree is higher than that of linear systems. For stretch-induced crystallization, stretching promotes the extension of molecular chains and arranges them along the stretching direction. The crystal nucleation and growth in linear and star polymer systems are significantly faster than in static crystallization. The mobility of the chain segments close to the branching point is partially enhanced by stretching, while the branching point still substantially affects the chain conformation and segment orientation. It is worth mentioning that we have verified some crucial results that cannot be observed in the experiments at the microscopic scale.
科研通智能强力驱动
Strongly Powered by AbleSci AI