writer：Yuanyuan Han; Wei Jiang
keywords：hydrogen bonding, diblock copolymer, Monte Carlo simulation, self-assembly, Janus micelle, selective solvent
source：期刊
specific source：J. Phys. Chem. B, 2011, 115, 2167-2172
Issue time：2011年

本文利用Monte Carlo模拟研究了基于氢键的AB/BC双块共聚物混合物在选择性溶剂中的自组装。模拟结果表明，自组装胶团结构取决于氢键的结合强度(εhb)、方向性依赖性(Phb)以及A和C块之间的厄拥相互作用(εAC)。通过调节εhb和εAC，可得到Janus胶团、混合胶团(不同块均匀混合的胶团)和纯胶团(仅含AB或BC双块共聚物)。模拟结果还显示，降低方向性依赖性和增加氢键结合强度对胶团结构和氢键联结具有等效效应。

Monte Carlo simulation was used to study the self-assembly of the AB/BC diblock copolymer mixture based on hydrogen bonding (H-bonding) in a selective solvent. The simulative results indicate that the self-assembled micelle structure is a function of the intensity of the associative interaction (εhb) and the directional dependency (Phb) of H-bonding, and the intrinsic repulsive interaction (εAC) between A and C blocks. The Janus micelles, mixed micelles and pure micelles are obtained through the adjustment of εhb and εAC. Moreover, decreasing directional dependency (Phb) and increasing H-bonding intensity (εhb) has an equivalent effect on the micelle structure and H-bonding association.

论文链接：https://doi.org/10.1021/jp1106313