writer：Zhihua Gao, Jie Cui, Yuanyuan Han, Wei Jiang
keywords：三嵌段共聚物, 疏溶剂性, 选择性溶剂, Monte Carlo模拟, 多隔室胶束, 相图
source：期刊
specific source：RSC Advances, 2018, 8(47), 26959-26967
Issue time：2018年

摘要：采用Monte Carlo模拟研究了线性ABC三嵌段共聚物在A选择性溶剂中的微相分离行为。所用ABC三嵌段共聚物具有短的亲溶剂A嵌段和两个长的疏溶剂B、C嵌段。考察了疏溶剂性差异以及B、C疏溶剂嵌段之间不相容性对线性ABC三嵌段共聚物形成胶束形貌的影响，并在不同B-C排斥下分别给出了以B、C嵌段疏溶剂性为变量的相图。获得了多种具有不同疏溶剂部分的多隔室胶束，如蛹状多层胶束、汉堡状胶束和凸起圆盘。值得注意的是，当B嵌段疏溶剂性远强于C嵌段时，获得了亲溶剂A嵌段位于胶束中心的新型反核-壳-冠胶束。结果表明，B、C嵌段间不相容性与疏溶剂性差异的竞争决定了多隔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的形成机理，为实验研究提供了理论指导。

Abstract：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 block B is much stronger than that of block 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.

论文链接：https://doi.org/10.1039/c8ra05283b