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
- Chinese Journal of Polymer Science Vol. 41, Issue 1, Pages: 166-178(2023)
- 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：
- DOI：10.1007/s10118-022-2812-3
  CLC：
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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 41(1):166-178(2023)
DOI：

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 41(1):166-178(2023) 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.

关键词

Keywords

Triblock copolymerSelf-assembly structurePhase transitionThree-dimensional confinementSurface adsorption

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