State Key Laboratory of Polymer Physics and Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun, 130022, China.
Langmuir. 2012 Aug 14;28(32):11714-24. doi: 10.1021/la3014943. Epub 2012 Aug 6.
Multicompartment micelles, especially those with highly symmetric surfaces such as patchy-like, patchy, and Janus micelles, have tremendous potential as building blocks of hierarchical multifunctional nanomaterials. One of the most versatile and powerful methods to obtain patchy multicompartment micelles is by the solution-state self-assembly of linear triblock copolymers. In this article, we applied the simulated annealing method to study the self-assembly of ABC linear terpolymers in C-selective solvents. Simulations predict a variety of patchy and patchy-like multicompartment micelles with high symmetry and also yield a detailed phase diagram to reveal how to control the patchy multicompartment micelle morphologies precisely. The phase diagram demonstrates that the internal segregated micellar structure depends on the ratio between the volume fractions of the two solvophobic blocks and their incompatibility, whereas the overall micellar shape depends on the copolymer concentration. The relationship between the interfacial energy, stretching energy of chains and the micellar morphology, micellar morphological transition are elucidated by computing the average contact number among the species, the mean square end-to-end distances of the whole terpolymers, the AB blocks in the terpolymers, the AB diblock copolymers, and angle distribution of terpolymers. The anchoring effect of the solvophilic C block on micellar structures is also examined by comparing the morphologies formed from ABC terpolymers and AB diblock copolymers.
多隔室胶束，特别是那些具有高度对称表面的胶束，如斑片状、斑片状和两性胶束，具有作为分级多功能纳米材料构建块的巨大潜力。获得斑片状多隔室胶束的最通用和最强大的方法之一是通过线性三嵌段共聚物在溶液状态下的自组装。在本文中，我们应用模拟退火方法研究了 ABC 线性三嵌段共聚物在 C 选择性溶剂中的自组装。模拟预测了具有高对称性的各种斑片状和斑片状多隔室胶束，并产生了详细的相图，以揭示如何精确控制斑片状多隔室胶束形态。相图表明，内部隔离的胶束结构取决于两个疏水性嵌段的体积分数之比及其不相容性，而整体胶束形状取决于共聚物浓度。通过计算物种之间的平均接触数、整个三嵌段共聚物的均方末端到末端距离、三嵌段共聚物中的 AB 嵌段、AB 二嵌段共聚物以及三嵌段共聚物的角度分布，阐明了界面能、链的拉伸能与胶束形态、胶束形态转变之间的关系。通过比较 ABC 三嵌段共聚物和 AB 二嵌段共聚物形成的形态，还研究了亲溶剂 C 嵌段对胶束结构的锚固效应。
