关键词: 聚合诱导自组装, 耗散粒子动力学, 形貌转变

Polymerization-induced self-assembly (PISA) is a new robust strategy to produce concentrated dispersions of block copolymer nano-objects. Insight into the dynamic process can promote the development of PISA by computer simulations. In this work, dissipative particle dynamics simulations (DPD) with a reaction model were employed to investigate the PISA behavior of ABC triblock copolymer. The polymerization of solvophobic B block was firstly performed using solvophilic macromolecular initiator A to fabricate AB copolymer. The continuous morphology transition from spherical micelle to wormlike micelle, to lamellae and finally to vesicle was observed during the process. Then, the polymerization of C block was further carried out and induced the different ABC triblock copolymer aggregates by tuning the interaction between C block and solvent (solvophobic or solvophilic).

Key words: polymerization, self-assembly, dissipative particle dynamics, simulation