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首页> 外文期刊>RSC Advances >Effect of solvophobicity on the phase behavior of linear ABC triblock copolymers in selective solvents: a Monte Carlo study
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Effect of solvophobicity on the phase behavior of linear ABC triblock copolymers in selective solvents: a Monte Carlo study

机译：疏溶剂性对线性ABC三嵌段共聚物在选择性溶剂中的相行为的影响：蒙特卡洛研究

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The microphase separation behavior of linear ABC triblock copolymers in A-selective solvents are studied using Monte Carlo simulation. The ABC triblock copolymer used in this study has a short solvophilic block A and two long solvophobic blocks B and C. The effects of the solvophobicity difference and the incompatibility between solvophobic blocks B and C on the micelle morphologies formed by linear ABC triblock copolymers are investigated, and phase diagrams as a function of the solvophobicity of blocks B and C are given at different repulsions between blocks B and C, respectively. A series of multicompartment micelles with distinct solvophobic parts is obtained, such as pupa-like multi-layered micelles, hamburger-like micelles and bumpy disks. Remarkably, when the solvophobicity of blocks B is much stronger than that of blocks C, a novel reverse core–shell–corona micelle with solvophilic blocks A located in the center of the micelle is obtained. Moreover, the results indicate that the competition between the effects of the incompatibility and solvophobicity difference between blocks B and C determines the microphase separation structures in the multicompartment micelles. These simulation results elucidate the mechanism of the formation of ABC triblock copolymer nanostructures and provide theoretical guidance for experimental studies.
机译：使用蒙特卡洛模拟研究了线性ABC三嵌段共聚物在A选择溶剂中的微相分离行为。本研究中使用的ABC三嵌段共聚物有一个短的亲溶剂性嵌段A和两个长的疏溶剂性嵌段B和C。研究了疏溶剂性差异以及疏溶剂性嵌段B和C之间的不相容性对线性ABC三嵌段共聚物形成的胶束形态的影响分别给出了在块B和C之间的斥力不同时，作为块B和C的疏溶剂性函数的相图。获得了一系列具有独特的疏溶剂性部分的多室胶束，例如样的多层胶束，汉堡样的胶束和颠簸的圆盘。值得注意的是，当嵌段B的疏油性比嵌段C的疏油性强得多时，便获得了一种新的反核-壳-冠状胶束，其胶束中心处有嗜溶剂性嵌段A。而且，结果表明，嵌段B和C之间的不相容性和疏溶剂性差异之间的竞争决定了多室胶束中的微相分离结构。这些模拟结果阐明了ABC三嵌段共聚物纳米结构形成的机理，并为实验研究提供了理论指导。

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