文献类型：期刊文献

英文题名：Polymerization-induced self-assembly of side-chain liquid crystalline copolymers by dissipative particle dynamics simulation

作者：Zuo, Song[1];Feng, Weisheng[1];Liu, Fan[1];Xu, Xuepei[1];Tao, Xinfeng[1];Wang, Liquan[1];Liu, Honglai[1];Lin, Shaoliang[1]

机构：[1]East China Univ Sci & Technol, Frontiers Sci Ctr Materiobiol & Dynam Chem, Sch Mat Sci & Engn, Shanghai Key Lab Adv Polymer Mat,Key Lab Ultrafine, Shanghai 200237, Peoples R China

年份：2023

卷号：264

外文期刊名：POLYMER

收录：;EI(收录号：20224913216326);WOS:【SCI-EXPANDED(收录号:WOS:000917178100004)】；

基金：This work is supported by the National Natural Science Foundation of China (52073092, 22173030, 51873061) . Support by Shanghai Scientific and Technological Innovation Projects (19JC1411700, 18JC1410802, 19ZR1412100, 22ZR1417500) .

语种：英文

外文关键词：Dissipative particle dynamics - Liquid crystals - Self assembly

摘要：Side-chain liquid crystal copolymers can self-assemble into dispersed assemblies effectively with the polymerization-induced self-assembly (PISA) technique. However, the synergy of polymerization and self-assembly result in undefined self-assembly behavior and polymerization kinetics. We explored the PISA behavior of side-chain liquid crystal copolymers in selective solvents by combining dissipative particle dynamics simulation and a probability-based reaction model. It was found that the morphologies of assemblies depend on the PISA time, copolymer concentrations, and various structural parameters. The polymerization exhibits three stages with different reaction constants during the PISA, achieving low polydispersity of the produced copolymers. The comparison with experiments demonstrated that the simulation could capture the essential characteristics of PISA. This study can help fundamentally understand the PISA behavior of side-chain liquid crystal copolymers.