Theoretical Study on the Self-assembly of Diblock Copolymers under Cylindrical Confinement with Alternately Adsorbed Surfaces

Peng-jie Xie; Qian-pei Wang; Mei-jiao Liu

doi:10.11777/j.issn1000-3304.2024.24038

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Theoretical Study on the Self-assembly of Diblock Copolymers under Cylindrical Confinement with Alternately Adsorbed Surfaces

更新时间：2024-05-17

- Theoretical Study on the Self-assembly of Diblock Copolymers under Cylindrical Confinement with Alternately Adsorbed Surfaces
- Acta Polymerica Sinica Pages: 1-11(2024)
- 作者机构：
  
  浙江省高分子材料表面与界面科学重点实验室浙江理工大学化学与化工学院杭州 310018
- 作者简介：
  
  Mei-jiao Liu, E-mail: mjliu@zstu.edu.cn
- 基金信息：
- DOI：10.11777/j.issn1000-3304.2024.24038
  CLC：
- Published Online：14 May 2024，
  
  Received：30 January 2024，
  
  Accepted：04 March 2024
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解鹏杰, 王倩佩, 刘美娇. 表面交替吸附的圆柱受限下两嵌段共聚物自组装的理论研究. 高分子学报, doi: 10.11777/j.issn1000-3304.2024.24038

Xie, P. J.; Wang, Q. P.; Liu, M. J. Theoretical study on the self-assembly of diblock copolymers under cylindrical confinement with alternately adsorbed surfaces. Acta Polymerica Sinica, doi: 10.11777/j.issn1000-3304.2024.24038
解鹏杰, 王倩佩, 刘美娇. 表面交替吸附的圆柱受限下两嵌段共聚物自组装的理论研究. 高分子学报, doi: 10.11777/j.issn1000-3304.2024.24038 DOI：

Xie, P. J.; Wang, Q. P.; Liu, M. J. Theoretical study on the self-assembly of diblock copolymers under cylindrical confinement with alternately adsorbed surfaces. Acta Polymerica Sinica, doi: 10.11777/j.issn1000-3304.2024.24038 DOI：

摘要

利用自洽场理论(SCFT)计算研究了AB两嵌段共聚物在交替吸附的圆柱受限下的自组装行为，重点研究了碟状(disk

Dk)结构的稳定性和相区域，构建了关于交替吸附周期

、圆柱孔径

以及A嵌段体积分数

的一系列相图. 结果表明，Dk结构的稳定性在表面场的诱导下得到很大的提高，特别是

≈5.0

时Dk结构变得更稳定. 固定

= 5.0

的情况下，Dk结构的形貌随着圆柱孔径

和A嵌段体积分数

的变化而变化，在一定的

线性变化区间， Dk结构可以形成具有负曲率的双凹碟状形貌，否则形成椭球或圆环形貌. 此外，在这样的特殊的表面场诱导下还出现了一些有趣的新型柱结构以及具有规则排列的球形结构. 这些研究加深了对圆柱受限表面场诱导嵌段共聚物自组装相行为的理解，为实验上制备类似的复杂结构提供了理论指导.

Abstract

The self-consistent field theory (SCFT) is employed to study the self-assembly behavior of AB diblock copolymers confined in alternately adsorbed nanopores. Focusing on the emergence and stability of the disk (Dk) phases

a series of phase diagrams are constructed with respect to the alternating adsorption period (

)

size of the cylindrical pore (

)

and the volume fraction of the A block (

). The results indicate a significant enhanced stability of Dk structure by the alternately adsorbing surface fields. The Dk structure is especially favored

when the alternating adsorption period is around 5.0

. With fixed

= 5.0

the appearance of the Dk structure is tuned by

and

it forms biconcave shape with neg

ative curvatures within a certain varying ranges of

and

otherwise it transforms into ellipsoidal or toroid shapes. Additionally

a number of novel cylinders and regularly arranged spheres emerged in the nanopores with specific surface fields. The results deepen the understanding of self-assembly behavior of block copolymers under cylindrical confinements

and provide theoretical guidance for the experimental preparation of such complex structures.

关键词

嵌段共聚物自组装圆柱受限表面场诱导自洽场理论

Keywords

Block copolymersSelf-assemblyCylindrical confinementSurface field inductionSelf-consistent field theory (SCFT)

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