散逸粒子動力学法を用いたナノ空間内における高分子グラフトナノ粒子の自己組織化に関する研究

抄録

In this study, we investigate the morphology and phase diagram of self-assembled polymeric nanoparticles (NPs) confined within nanotubes (NTs) by dissipative particle dynamics simulations. There is a clear relationship between the self-assembling architecture of nanoparticles (NPs) and their physical properties, and Polymer-tethered NPs, which are created by grafting polymers onto NPs to control the self-assembly of NPs, have attracted considerable attention. However, self-assembled structures have not been systematically classified because of the large number of tuning parameters such as the polymer length and graft density. In this study, we investigated the confinement of NPs grafted with three types of polymers: hydrophilic, hydrophobic and Janus surface, hydrophilic and hydrophobic walls. First, we derived the qualitative phase diagram of the axial pressure Pz and the ratio L of NT radius to NP radius. As a result, in polymer-grafted NPs with Janus amphiphilic surface, hydrophobic and hydrophilic polymer tether NPs were found to assemble axially to form an ordered structure, and in hydrophobic NTs, a double helical structure was formed at L=3.0. These simulation results show that the self-assembled structure of polymer tether NPs can be qualitatively predicted based on the chemical properties of NT walls and the surface design of polymer tether NPs.