Insight into the Solution Self-Assembly of Amphiphilic Asymmetric Brush Copolymers <italic style="font-style: italic">via</italic> Computer Simulations

Wei-Ting Zeng; Wei-Sheng Feng; Xing Zhang; Yuan Yao; Bin-Bin Xu; Shao-Liang Lin

doi:10.1007/s10118-024-3198-1

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

RESEARCH ARTICLE | Updated：2024-12-31

- Insight into the Solution Self-Assembly of Amphiphilic Asymmetric Brush Copolymers via Computer Simulations
- Insight into the Solution Self-Assembly of Amphiphilic Asymmetric Brush Copolymers via Computer Simulations
- 高分子科学（英文） 2025年43卷第1期页码：132-140
- Affiliations：
  
  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
- Author bio：
  
  binbinxu@ecust.edu.cn (B.B.X.)
  slin@ecust.edu.cn (S.L.L.)
- Funds：
  
  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).;Electronic supplementary information (ESI) is available free of charge in the online version of this article at http://doi.org/10.1007/s10118-024-3198-1.
- DOI：10.1007/s10118-024-3198-1
  中图分类号： M
- 收稿：2024-05-19，
  
  修回：2024-06-15，
  
  录用：2024-06-23，
  
  网络首发：2024-09-27，
  
  纸质出版：2025-01-01
- Accepted：
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Zeng, W. T.; Feng, W. S.; Zhang, X.; Yao, Y.; Xu, B. B.; Lin, S. L. Insight into the solution self-assembly of amphiphilic asymmetric brush copolymers via computer simulations. Chinese J. Polym. Sci. 2025, 43, 132–140

Wei-Ting Zeng, Wei-Sheng Feng, Xing Zhang, et al. Insight into the Solution Self-Assembly of Amphiphilic Asymmetric Brush Copolymers via Computer Simulations[J]. Chinese Journal of Polymer Science, 2025, 43(1): 132-140. DOI: 10.1007/s10118-024-3198-1.
Zeng, W. T.; Feng, W. S.; Zhang, X.; Yao, Y.; Xu, B. B.; Lin, S. L. Insight into the solution self-assembly of amphiphilic asymmetric brush copolymers via computer simulations. Chinese J. Polym. Sci. 2025, 43, 132–140 DOI： 10.1007/s10118-024-3198-1.

Wei-Ting Zeng, Wei-Sheng Feng, Xing Zhang, et al. Insight into the Solution Self-Assembly of Amphiphilic Asymmetric Brush Copolymers via Computer Simulations[J]. Chinese Journal of Polymer Science, 2025, 43(1): 132-140. DOI: 10.1007/s10118-024-3198-1. DOI：

摘要

The simulation results demonstrate that amphiphilic asymmetric brush copolymers can self-assemble into various morphologies. Channelized micelles are generated by the fusion of cylindrical vesicles and spherical vesicles

and the copolymer structure

concentration and interaction parameters have great influence on the morphology of their internal solvophilic channels.

Abstract

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.

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references

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

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

DOI：10.1007/s10118-024-3198-1

摘要

Abstract

关键词

Keywords

references