Simulation of Surface-Induced Morphology Transition and Phase Diagram of Linear Triblock Copolymers under Spherical Confinement

Ji Wu; Shang-Ting Chen; Shi-Ben Li; Lu-Ming Liu; Xiang-Hong Wang; Wen-Chang Lang

doi:10.1007/s10118-022-2812-3

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Simulation of Surface-Induced Morphology Transition and Phase Diagram of Linear Triblock Copolymers under Spherical Confinement

RESEARCH ARTICLE | Updated：2022-12-19

- Simulation of Surface-Induced Morphology Transition and Phase Diagram of Linear Triblock Copolymers under Spherical Confinement
- Simulation of Surface-Induced Morphology Transition and Phase Diagram of Linear Triblock Copolymers under Spherical Confinement
- 高分子科学（英文版） 2023年41卷第1期页码：166-178
- Affiliations：
  
  a.Key Laboratory of Surface modification of Polymer Materials, Wenzhou Polytechnic, Wenzhou 325035, China
  b.Department of Physics, Wenzhou University, Wenzhou 325035, China
  c.Department of Mechanical Engineering, Shanghai Technical Institute of Electronics & Information, Shanghai 201411, China
- Author bio：
  
  wangxianghong@stiei.edu.cn
- Funds：
  
  This work was financially supported by the National Natural Science Foundation of China (Nos. 11875205 and 21973070), the Natural Science Foundation of Zhejiang Province (No. LY19E010004), and the Basic scientific research project of Wenzhou Key Laboratory (No. H2020012).
- DOI：10.1007/s10118-022-2812-3
  中图分类号：
- 收稿：2022-04-08，
  
  修回：2022-5-8，
  
  录用：2022-5-27，
  
  网络首发：2022-09-21，
  
  纸质出版：2023-01-01
- Accepted：
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Wu, J.; Chen, S. T.; Li, S. B.; Liu, L. M.; Wang, X. H.; Lang, W. C. Simulation of surface-induced morphology transition and phase diagram of linear triblock copolymers under spherical confinement. Chinese J. Polym. Sci. 2023, 41, 166–178

Ji Wu, Shang-Ting Chen, Shi-Ben Li, et al. Simulation of Surface-Induced Morphology Transition and Phase Diagram of Linear Triblock Copolymers under Spherical Confinement[J]. Chinese Journal of Polymer Science, 2023, 41(1): 166-178.
Wu, J.; Chen, S. T.; Li, S. B.; Liu, L. M.; Wang, X. H.; Lang, W. C. Simulation of surface-induced morphology transition and phase diagram of linear triblock copolymers under spherical confinement. Chinese J. Polym. Sci. 2023, 41, 166–178 DOI： 10.1007/s10118-022-2812-3.

Ji Wu, Shang-Ting Chen, Shi-Ben Li, et al. Simulation of Surface-Induced Morphology Transition and Phase Diagram of Linear Triblock Copolymers under Spherical Confinement[J]. Chinese Journal of Polymer Science, 2023, 41(1): 166-178. DOI： 10.1007/s10118-022-2812-3.

摘要

The nanostructures of ABC linear triblock copolymers confined in spherical cavities are investigated by self-consistent field theory

and we design a Janus adsorption field to explore unpredictable microphase behavior. Results show that the confinement disrupts the influence of adsorption on the complexity and transformation activity of self-assembled structures.

Abstract

In this work

the nanostructures and phase diagrams of lamella-forming and cylinder-forming ABC linear triblock copolymers confined in spherical cavities are investigated on the basis of real-space self-consistent field theory. We designate specific monomer-monomer interactions and block composition and study morphology transformation under spherical confinement with a neutral surface. Various potentially valuable morphological structures

such as two- or three-colored spheres

rotational structures

and biconcave disklike structures

are identified in the phase diagrams constructed on confining diameters. Single confinement induces an obvious transformation of self-assembled structures

which still retain some of the conformational properties of bulk structures. We then focus on phase morphology under preferential surfaces. Absorption can smooth out differences in block ratios

and similar structures can be assembled from block copolymers with different proportions. We incorporate a non-centrosymmetric feature into our spherical confinement model and design a Janus adsorption field to explore unpredictable microphase behavior. Results show that the unbalance of the block ratio causes adsorption to exert a stable shaping effect on conformation. The influence of confinement on the degree of freedom of polymer chains disrupts the influence of adsorption on the complexity and transformation activity of self-assembled structures. The theoretical results correspond to recent experimental observations and contribute to the field functional material synthesis.

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references

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