writer：Jie Cui; Wei Jiang
keywords：ABC triblock copolymer, vesicle, Monte Carlo simulation, selective solvent, self-assembly, microphase behavior, asymmetric membrane
source：期刊
specific source：Langmuir, 2010, 26(16), 13672-13676
Issue time：2010年

本文利用Monte Carlo模拟研究了ABC三嵌段共聚物在对A和C块选择性的溶剂中的囊泡形成与微相行为。模拟结果表明，块A和C的亲水性不仅决定囊泡的形成，还决定微相行为。如果A和C块链长相等，亲水性较低的块A倾向聚集在内表面，而亲水性较高的块C趋于移向外表面，形成ABC（从内到外）三层囊泡。模拟结果进一步显示，如果两个亲水性块之间的亲水性差异足够小，则ABC三层结构在膜闭合之后（即囊泡轮廓形成之后）形成；否则，ABC三层结构在膜闭合之前形成。此外，还研究了块链长和不相容性对囊泡形态的影响。

Using Monte Carlo simulation, we studied the vesicle formation and microphase behavior of ABC triblock copolymers in selective solvent for A and C blocks. Simulation results show that the hydrophilicity of Blocks A and C determines not only the vesicle formation but also the microphase behavior. If Blocks A and C are of equal length, then Block A (with lower hydrophilicity) is likely to aggregate on the inner surface, whereas Block C (with higher hydrophilicity) tends to move to the outer surface, forming the ABC (from inside to outside) three-layer vesicle. Simulation results reveal that if the hydrophilicity difference between the two blocks is sufficiently low, then the ABC three layers are formed after the membrane closes. Otherwise, the ABC three layers are formed before the membrane closes. Furthermore, the effect of chain length and incompatibility between the two amphiphilic blocks is studied and discussed.

论文链接：https://doi.org/10.1021/la102211d