Insight into the Solution Self-Assembly of Amphiphilic Asymmetric Brush Copolymers via Computer Simulations  

作　　者：Wei-Ting Zeng Wei-Sheng Feng Xing Zhang Yuan Yao Bin-Bin Xu Shao-Liang Lin 

机构地区：[1]Shanghai Key Laboratory of Advanced Polymeric Materials,Key Laboratory for Ultrafine Materials of Ministry of Education,Frontiers Science Center for Materiobiology and Dynamic Chemistry,School of Materials Science and Engineering,East China University of Science and Technology,Shanghai,200237,China

出　　处：《Chinese Journal of Polymer Science》2025年第1期132-140,I0010,共10页高分子科学(英文版)

基　　金：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);Shanghai Rising-Star Program(No.23QA1402500).

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.

关 键 词：Dissipative particle dynamics Brush copolymer SELF-ASSEMBLY Channelized micelle 

分 类 号：O63[理学—高分子化学]