Composition Conversion-Induced Disassembly of Amphiphilic ABA Triblock Copolymer Vesicles: A Monte Carlo Study

IF 3.9 2区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Langmuir Pub Date : 2025-01-30 DOI:10.1021/acs.langmuir.4c04472

Yanqi Zong, Jie Cui, Yuanyuan Han

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Abstract

The composition conversion in block copolymer induced by external stimuli such as light and pH is an effective strategy to trigger the disassembly of vesicles experimentally. Based on this strategy, the disassembly behavior of the A₂B₁₂A₂ triblock copolymer vesicle induced by the composition conversion from B block to C block was studied using Monte Carlo simulation. In this study, a part of the B block in the A₂B₁₂A₂ triblock copolymer was converted to the new block C with weaker hydrophobicity, forming the A₂B_12–nC_nA₂ tetrablock copolymer. The composition conversion makes the originally stable vesicle unstable, and after sufficiently long simulation time, the system reached a new equilibrium state. The aggregate morphology of the new equilibrium state was highly dependent on the converted chain length (n). A variety of micelles with novel Janus-type phase-separated microstructures in their hydrophobic parts have been observed in the systems with different n. It should be noticed that those Janus-type micelles cannot be obtained via traditional self-assembly processes from homogeneous states of A₂B_12–nC_nA₂ tetrablock copolymers under the same conditions. The simulation results further indicated that the morphological transformation from ABA vesicle to ABCA micelles induced by the composition conversion is reversible.

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两亲性ABA三嵌段共聚物囊泡组成转化诱导的分解：蒙特卡罗研究

外部刺激如光和pH诱导嵌段共聚物的组成转换是实验中触发囊泡分解的有效策略。基于该策略，利用蒙特卡罗模拟研究了由B嵌段转化为C嵌段引起的A2B12A2三嵌段共聚物囊泡的分解行为。在本研究中，A2B12A2三嵌段共聚物中的部分B嵌段转化为疏水性较弱的新嵌段C，形成A2B12-nCnA2四嵌段共聚物。组分转换使原本稳定的囊泡变得不稳定，经过足够长的模拟时间后，系统达到新的平衡状态。新平衡态的聚集体形态高度依赖于转化链长度(n)。在不同n的体系中，观察到各种具有新型双面相分离微结构的胶束。值得注意的是，在相同条件下，A2B12-nCnA2四嵌段共聚物的均相状态不能通过传统的自组装工艺获得这些双面相分离胶束。模拟结果进一步表明，组成转化诱导的ABA囊泡到ABCA胶束的形态转变是可逆的。

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来源期刊

Langmuir 化学-材料科学：综合

CiteScore

6.50

自引率

10.30%

发文量

1464

审稿时长

2.1 months

期刊介绍： Langmuir is an interdisciplinary journal publishing articles in the following subject categories: Colloids: surfactants and self-assembly, dispersions, emulsions, foams Interfaces: adsorption, reactions, films, forces Biological Interfaces: biocolloids, biomolecular and biomimetic materials Materials: nano- and mesostructured materials, polymers, gels, liquid crystals Electrochemistry: interfacial charge transfer, charge transport, electrocatalysis, electrokinetic phenomena, bioelectrochemistry Devices and Applications: sensors, fluidics, patterning, catalysis, photonic crystals However, when high-impact, original work is submitted that does not fit within the above categories, decisions to accept or decline such papers will be based on one criteria: What Would Irving Do? Langmuir ranks #2 in citations out of 136 journals in the category of Physical Chemistry with 113,157 total citations. The journal received an Impact Factor of 4.384*. This journal is also indexed in the categories of Materials Science (ranked #1) and Multidisciplinary Chemistry (ranked #5).