Size and diffusion of polymer in media filled with periodic fillers

Abstract

AbstractThe effect of nanosized fillers on the equilibrium and dynamic properties of a single polymer chain has been studied by using off-lattice Monte Carlo (MC) simulation. Fillers of identical size are arranged periodically in the system and the Lennard-Jones (LJ) interaction is considered between the polymer and fillers. Our results show that the statistical size and dynamic diffusion properties of the polymer are not only dependent on the size of the polymer relative to the size of fillers and the distance between fillers, but also dependent on the interaction between the polymer and filler. The statistical size of the polymer can increase or decrease. Normal diffusion is always observed for long polymers and small fillers, whereas a transition from a desorbed state to an adsorbed state is observed for short polymers and large fillers. Finally, the size and diffusion of the polymer on an infinitely large surface are studied for comparison.