Tuning Polymerization Rate Program Block Copolymer Assemblies in PISA: A Simulation Study

Abstract

As a powerful tool of controlled preparation of polymeric nanomaterials, polymerization-induced self-assembly (PISA), has been developed and extensively studied in the past decade. In this work, the RAFT polymerization system of P4VP as chain transfer agent and St as monomer in methanol was modelled and their PISA process was simulated by dissipative particle dynamics. Different morphologies of P4VP-b-PS was obtained at tuning polymerization rate. The morphology evolution at high conversation was investigated in detail and it was found that the appearance of worm-like micelles was a key point to determine the self-assemblies was vesicles or tubes. In addition, the PISA behavior at low conversion was also studied. The final morphologies was different with that at 100% conversion, but these results were well agreed with experiments. This simulation studies identified polymerization rate as the key factors on tuning morphology in PISA and broadens its research method.