拓扑结构转变诱导两嵌段共聚物囊泡形貌转变的Monte Carlo模拟
Monte Carlo Simulation of Chain Architecture Transition Induced Morphological Transformation of Diblock Copolymer Vesicle
- 高分子通报 2026年39卷第3期 页码：438-446
- 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：
hanyuanyuan@lnpu.edu.cn
cuijie@lnpu.edu.cn
- 基金信息：国家自然科学基金(52433001);辽宁省教育厅高等学校基本科研项目(JYTMS20231437);辽宁石油化工大学引进人才科研启动基金(2019XJJL-014;2019XJJL-015)
DOI：10.14028/j.cnki.1003-3726.2025.25.257
中图分类号：收稿：2025-11-08，
录用：2025-12-15，
网络首发：2026-01-12，
纸质出版：2026-03-20
- 稿件说明：
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周琬婷, 赵瑞晓, 宗艳琪, 闫程旭, 韩媛媛, 崔杰. 拓扑结构转变诱导两嵌段共聚物囊泡形貌转变的Monte Carlo模拟. 高分子通报, 2026, 39(3), 438-446.
Zhou, W. T.; Zhao, R. X.; Zong, Y. Q.; Yan, C. X.; Han, Y. Y.; Cui, J. Monte Carlo simulation of chain architecture transition induced morphological transformation of diblock copolymer vesicle. Polym. Bull. (in Chinese), 2026, 39(3), 438-446.
周琬婷, 赵瑞晓, 宗艳琪, 闫程旭, 韩媛媛, 崔杰. 拓扑结构转变诱导两嵌段共聚物囊泡形貌转变的Monte Carlo模拟. 高分子通报, 2026, 39(3), 438-446. DOI： 10.14028/j.cnki.1003-3726.2025.25.257.
Zhou, W. T.; Zhao, R. X.; Zong, Y. Q.; Yan, C. X.; Han, Y. Y.; Cui, J. Monte Carlo simulation of chain architecture transition induced morphological transformation of diblock copolymer vesicle. Polym. Bull. (in Chinese), 2026, 39(3), 438-446. DOI： 10.14028/j.cnki.1003-3726.2025.25.257.
摘要
聚合物囊泡由于其独特的中空结构以及双层膜结构在药物负载与释放领域有着独特的应用价值，如何制备结构和尺寸可控的聚合物囊泡一直是高分子材料领域的研究热点之一。采用Monte Carlo模拟方法，以环形两嵌段共聚物自组装所形成的囊泡为研究对象，将囊泡中部分环形两嵌段共聚物转变为线形两嵌段共聚物，考察了两嵌段共聚物链拓扑结构对囊泡膜微观结构的影响。模拟结果表明，无论体系中链拓扑结构的转变比例为多少，聚合物囊泡均能够保持完好的双层膜结构并且保持整体尺寸几乎不变，然而囊泡内疏水膜的厚度和空腔尺寸强烈依赖于体系中线形链的含量。这一模拟结果表明，以聚合物囊泡为初始态，通过调控囊泡中聚合物链的拓扑结构能够在维持囊泡整体形貌结构和尺寸几乎不变的同时，实现对囊泡膜微观结构的调控，这为制备微观结构尺寸(如疏水膜厚、空腔尺寸等)可控的聚合物囊泡提供了必要的理论依据。
Abstract
Polymer vesicles have unique application value in drug loading and release owing to their unique hollow and bilayer membrane structures. The preparation of polymer vesicles with controllable structures and sizes has always been a research hotspot in the field of polymer materials. Using Monte Carlo simulations
vesicles formed by cyclic diblock copolymers were chosen as the research object. Some of the cyclic diblock copolymers in the vesicles were converted into linear diblock copolymers
and the influence of the chain architecture of the diblock copolymers on the microstructure of the vesicle membrane was investigated. The simulation results show that regardless of the conversion ratio of the chain architecture in the system
the polymer vesicles can maintain an intact bilayer membrane structure and maintain an almost unchanged overall size. However
the hydrophobic membrane thickness and cavity size inside the vesicles strongly depend on the content of linear chains in the system. The simulation results show that
with the polymer vesicle as the initial state
by regulating the chain architecture of the polymer chains in the vesicle
the microstructure of the vesicle membrane can be controlled while maintaining the overall morphology and size of the vesicle
which provides the necessary theoretical basis for the preparation of polymer vesicles with controllable microstructures (such as hydrophobic film thickness and cavity size).
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references
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