文献类型：期刊文献

英文题名：Insight into the Solution Self-Assembly of Amphiphilic Asymmetric Brush Copolymers via Computer Simulations

作者：Zeng, Wei-Ting[1];Feng, Wei-Sheng[1];Zhang, Xing[1];Yao, Yuan[1];Xu, Bin-Bin[1];Lin, Shao-Liang[1]

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

年份：2025

卷号：43

期号：1

起止页码：132

外文期刊名：CHINESE JOURNAL OF POLYMER SCIENCE

收录：;EI(收录号：20244017143650);WOS:【SCI-EXPANDED(收录号:WOS:001326671600003)】；

基金：This work was financially supported by the National Science Foundation for Distinguished Young Scholars (No. 52325308), the National Natural Science Foundation of China (Nos. 52273008 and 52073092), Shanghai Scientific and Technological Innovation Projects (No. 22ZR1479300) and Shanghai Rising-Star Program (No. 23QA1402500).

语种：英文

外文关键词：Dissipative particle dynamics; Brush copolymer; Self-assembly; Channelized micelle

摘要：Amphiphilic asymmetric brush copolymers (AABCs) possess unique self-assembly behaviors owing to their asymmetric brush architecture and multiple functionalities of multicomponent side chains. However, the synthesis of AABCs presents challenges, which greatly limits the exploration of their self-assembly behaviors. In this work, we employed dissipative particle dynamics (DPD) simulations to investigate the self-assembly behaviors of AABCs in selective solution. By varying the copolymer concentration and structure, we conducted the self-assembly phase diagrams of AABCs, revealing complex morphologies such as channelized micelles with one or more solvophilic channels. Moreover, the number, surface area, and one-dimensional density distribution of the channelized micelles were calculated to demonstrate the internal structure and morphological transformation during the self-assembly process. Our findings indicate that the morphology of the internal solvophilic channels is greatly influenced by the copolymer structure, concentration, and interaction parameters between the different side chains. The simulation results are consistent with available experimental observations, which can offer theoretical insights into the self-assembly of AABCs.