文献类型：期刊文献

英文题名：An insight into polymerization-induced self-assembly by dissipative particle dynamics simulation

作者：Huang, Feng[1];Lv, Yisheng[1];Wang, Liquan[1];Xu, Pengxiang[1];Lin, Jiaping[1];Lin, Shaoliang[1]

机构：[1]East China Univ Sci & Technol, Shanghai Key Lab Adv Polymer Mat, Key Lab Ultrafine Mat, Minist Educ,Sch Mat Sci & Engn, Shanghai 200237, Peoples R China

年份：2016

卷号：12

期号：30

起止页码：6422

外文期刊名：SOFT MATTER

收录：;EI(收录号：20163202679809);WOS:【SCI-EXPANDED(收录号:WOS:000381504400010)】；

基金：This work was supported by the National Natural Science Foundation of China (51573046, 51103044, and 21304035). Support from the Projects of Shanghai Municipality (14SG29) and the Fundamental Research Funds for the Central Universities (NCET-12-0857, B14018 and WD1213002) is also appreciated.

语种：英文

外文关键词：Macromolecules - Aggregates - Dissipative particle dynamics - Block copolymers - Polymerization

摘要：Polymerization-induced self-assembly is a one-pot route to produce concentrated dispersions of block copolymer nano-objects. Herein, dissipative particle dynamics simulations with a reaction model were employed to investigate the behaviors of polymerization-induced self-assembly. The polymerization kinetics in the polymerization-induced self-assembly were analyzed by comparing with solution polymerization. It was found that the polymerization rate enhances in the initial stage and decreases in the later stage. In addition, the effects of polymerization rate, length of macromolecular initiators, and concentration on the aggregate morphologies and formation pathway were studied. The polymerization rate and the length of the macromolecular initiators are found to have a marked influence on the pathway of the aggregate formations and the final structures. Morphology diagrams were mapped correspondingly. A comparison between simulation results and experimental findings is also made and an agreement is shown. This work can enrich our knowledge about polymerization-induced self-assembly.