Simulation of Polymer Crystallization through a Dynamic Monte Carlo Lattice Model

Abstract

A simulation approach to polymer crystallization is presented. The molecules approach crystallization through a compact globule state. The simulation shows that individual molecules acquire a lamellar conformation, even before interacting to form a crystal. The lamellar thickness is considerably smaller than in the most stable state, in agreement with the experimental observations. The lamellar thickness is observed to decrease as a function of the temperature of simulation, also in agreement with the experimental observations.