title: An insight into polymerization-induced self-assembly by dissipative particle dynamics simulation.
abstract: Polymerization-induced self-assembly is a one-pot route to produce concentrated dispersions of block copolymer nano-objects. Herein, dissipative particle dynamics simulations with a reaction model were employed to investigate the behaviors of polymerization-induced self-assembly. The polymerization kinetics in the polymerization-induced self-assembly were analyzed by comparing with solution polymerization. It was found that the polymerization rate enhances in the initial stage and decreases in the later stage. In addition, the effects of polymerization rate, length of macromolecular initiators, and concentration on the aggregate morphologies and formation pathway were studied. The polymerization rate and the length of the macromolecular initiators are found to have a marked influence on the pathway of the aggregate formations and the final structures. Morphology diagrams were mapped correspondingly. A comparison between simulation results and experimental findings is also made and an agreement is shown. This work can enrich our knowledge about polymerization-induced self-assembly.
authors.affiliation: Shanghai Key Laboratory of Advanced Polymeric Materials, Key Laboratory for Ultrafine Materials of Ministry of Education, School of Materials Science and Engineering, East China University of Science and Technology, Shanghai 200237, China. slin@ecust.edu.cn lq_wang@ecust.edu.cn.
authors.forename: Feng
authors.initials: F
authors.lastname: Huang
authors.forename: Yisheng
authors.initials: Y
authors.lastname: Lv
authors.forename: Liquan
authors.initials: L
authors.lastname: Wang
authors.forename: Pengxiang
authors.initials: P
authors.lastname: Xu
authors.forename: Jiaping
authors.initials: J
authors.lastname: Lin
authors.forename: Shaoliang
authors.initials: S
authors.lastname: Lin