Molecular Simulations of Stereocomplex Crystallization in Grafted Diblock Copolymers

被引：0

作者：

Ma, Junjie ^{[1
]}

Chen, Yupeng ^{[1
]}

Chen, Jianyu ^{[1
]}

Ming, Yongqiang ^{[1
]}

Nie, Yijing ^{[1
]}

机构：

[1] Jiangsu Univ, Inst Polymer Mat, Sch Mat Sci & Engn, 301 Xuefu Rd, Zhenjiang 212013, Peoples R China

来源：

CRYSTAL RESEARCH AND TECHNOLOGY | 2025年 / 60卷 / 02期

基金：

中国国家自然科学基金;

关键词：

grafted block copolymers; molecular simulations; stereocomplex crystallization; POLY(LACTIC ACID); MECHANICAL-PROPERTIES; CRYSTAL NUCLEATION; BLENDS; PDLA;

D O I：

10.1002/crat.202400187

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

How to increase the stereocomplex crystal (SCs) content of polylactic acid attracts a lot of attention from scientists. In the current work, Monte Carlo simulations are used to construct grafted diblock copolymer systems with different grafting modes and the stereocomplex crystallization of these systems is studied. The results show that the SC contents are highest in the random-grafted, the row-staggered-grafted and the point-staggered-grafted copolymer systems, while the SC content is lowest in the uniform-grafted copolymer systems. This can be attributed to that the random-grafted, the row-staggered-grafted and the point-staggered-grafted copolymer systems have the highest local segment miscibility, while the uniform-grafted copolymer system has the lowest local segment miscibility. In addition, it is also found that the point-staggered-grafted copolymer systems with lower chain lengths exhibit higher SC contents due to the stronger segment mobility.

引用

页数：10