Dissipative particle dynamics simulations for dispersion of polymer grafted nanoparticles

Kenta Chaki, Hideyo Yoshida, Taku Ozawa

JSOL Corporation

For developing high functional nanocomposites, dispersing nanoparticles in polymer melt is the difficult problem. One of the methods to disperse nanoparticles is to graft polymers on nanoparticles. We conducted dissipative particle dynamics (DPD) simulations with polymer grafted sphere nanoparticles in polymer melt. Without grafting polymers on nanoparticles, the nanoparticles aggregate. But in case of polymer grafted nanoparticles, they disperse and the degree of dispersion can be controlled by graft density. The modeling and analysis are achieved with J-OCTA.