Dynamics of bulk polyethylene on a high coordination lattice

摘要

Monte Carlo simulations of bulk polyethylene were performed on a high-coordination lattice. In this study, we investigated the effect of coarse-grained short and long range interaction parameters on the dynamic properties of the bulk system. As a result of fine tuning of the simulation parameters, our coarse-grained simulations were successful in mimicing the local and large-scale dynamics of C44H90 and C100H202 melts. [References: 19]