Composition Conversion-induced Formation of Multicompartment Structures in the Ordered Aggregates of ABA Triblock Copolymers: A Monte Carlo Study

Rui-xiao Zhao; Wan-ting Zhou; Yan-qi Zong; Yuan-yuan Han; Jie Cui

doi:10.11777/j.issn1000-3304.2025.25261

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Composition Conversion-induced Formation of Multicompartment Structures in the Ordered Aggregates of ABA Triblock Copolymers: A Monte Carlo Study

Research Article | 更新时间：2026-04-01

- Composition Conversion-induced Formation of Multicompartment Structures in the Ordered Aggregates of ABA Triblock Copolymers: A Monte Carlo Study
- Acta Polymerica Sinica Vol. 57, Issue 4, Pages: 998-1010(2026)
- 作者机构：
  
  辽宁石油化工大学新能源与新材料学院抚顺 113001
- 作者简介：
  
  Yuan-yuan Han, E-mail: hanyuanyuan@lnpu.edu.cn
- 基金信息：
- DOI：10.11777/j.issn1000-3304.2025.25261
  CLC：
- CSTR：32057.14.GFZXB.2025.7546
- Received：17 November 2025，
  
  Accepted：30 December 2025，
  
  Online First：02 February 2026，
  
  Published：20 April 2026
- 稿件说明：
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赵瑞晓, 周琬婷, 宗艳琪, 韩媛媛, 崔杰. 组分转变诱导ABA三嵌段共聚物有序聚集体多间隔结构形成的Monte Carlo模拟. 高分子学报, 2026, 57(4), 998-1010.

Zhao, R. X.; Zhou, W. T.; Zong, Y. Q.; Han, Y. Y.; Cui, J. Composition conversion-induced formation of multicompartment structures in the ordered aggregates of ABA triblock copolymers: a Monte Carlo study. Acta Polymerica Sinica (in Chinese), 2026, 57(4), 998-1010.
赵瑞晓, 周琬婷, 宗艳琪, 韩媛媛, 崔杰. 组分转变诱导ABA三嵌段共聚物有序聚集体多间隔结构形成的Monte Carlo模拟. 高分子学报, 2026, 57(4), 998-1010. DOI： 10.11777/j.issn1000-3304.2025.25261. CSTR： 32057.14.GFZXB.2025.7546.

Zhao, R. X.; Zhou, W. T.; Zong, Y. Q.; Han, Y. Y.; Cui, J. Composition conversion-induced formation of multicompartment structures in the ordered aggregates of ABA triblock copolymers: a Monte Carlo study. Acta Polymerica Sinica (in Chinese), 2026, 57(4), 998-1010. DOI： 10.11777/j.issn1000-3304.2025.25261. CSTR： 32057.14.GFZXB.2025.7546.

摘要

通过外部刺激使嵌段共聚物中某个组分性质发生转变来诱导嵌段共聚物体系从一个有序态转变至另一个有序态是调控聚合物有序聚集体形貌结构的一个新思路. 基于此，以经典的ABA三嵌段共聚物有序聚集体(长棒以及囊泡)为初始态，采用Monte Carlo模拟方法考察当体系中部分B嵌段转变为C嵌段(即体系中ABA三嵌段共聚物转变为ABA/ACA三嵌段共聚物共混物)后，长棒状胶束以及囊泡疏水部分微相结构的变化. 模拟结果表明，通过调控B嵌段与新生成的C嵌段间的不相容性以及体系演化的时间，原疏水部分为单一组分的有序聚集体能够演化形成多种在线形三组分嵌段共聚物体系中很少观察到且微相结构可控的多间隔型有序聚集体，如节状蠕虫、汉堡型以及Janus型棒状胶束；蛹状囊泡、垒球状囊泡、Janus型以及哑铃型囊泡等. 上述某些结构(诸如节状蠕虫、蛹状囊泡等)很难在相同参数条件下采用传统自组装方法(即体系从无序的均匀溶液状态演化)获得.

Abstract

External stimuli can induce composition conversion in block copolymers

which can then lead to morphological transitions of the block copolymer aggregates from one ordered state to another

which has become a new strategy for regulating the morphological structure of block copolymers. Based on this

taking the classical ABA triblock copolymer ordered aggregates (such as cylinders and vesicles) as the initial state

the Monte Carlo simulation method was used to investigate the microstructural changes in the hydrophobic parts of the cylinder and vesicle when part of the B blocks in the system were converted into C blocks (

i.e.

the ABA triblock copolymer in the system was transformed into the ABA/ACA triblock copolymer mixture). The simulation results indicated that by regulating the incompatibility between the B block and the newly generated C block

as well as the evolution time of the system

ordered aggregates with a single hydrophobic component could evolve into ordered aggregates with a variety of novel controllable multi-compartment structures that are rarely observed in linear terpolymer systems

such as segmented worm

Hamburg-type and Janus-type rods

pupa-like vesicles

softball-shaped vesicles

Janus-type and dumbbell-shaped vesicles. It is worth noting that some of the aforementioned structures

such as segmented worms and pupa-like vesicles

are difficult to obtain using traditional self-assembly methods (

i.e.

the system evolves from a disordered uniform solution state) under the same parameter conditions.

关键词

Keywords

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