Self-Organized Structures of Attractive End-Functionalized Semiflexible Polymer Suspensions

Abstract

The equilibrium structural properties of suspensions of semiflexible polymers with attractive ends are investigated by mesoscale hydrodynamic simulations. The hybrid simulation approach combines the multiparticle collision dynamics method for the fluid with molecular dynamics simulations for the semiflexible polymers. In equilibrium, the linear polymers self-organize into scaffold-like network structures, which are governed by polymer flexibility and end-attraction strength. We investigate the appearing structures for various adhesive strengths and polymer stiffnesses. The morphology of the suspension changes abruptly when the end-attraction strength exceeds a critical value, and stiff polymers assemble more easily into scaffold-like networks than flexible polymers. These studies provide a deeper understanding of the network structure formation in complex materials.