Polymer melts between plates: analytical calculations and Monte Carlo simulations

Abstract

The authors discuss the problem of a polymer melt confined between two plates. The detailed structure of the polymer chains between impenetrable plates has been studied, to date, mainly through theoretical techniques involving the use of a lattice model. However, the effects of the surface on the conformations of the macromolecules as obtained from the model of Barker are in disagreement with the analytical calculations of Theodorou and the lattice Monte Carlo simulations of ten Brinke et al. To probe this disagreement, the authors have performed off-lattice Monte Carlo simulations, which allow for the study of the microscopic conformations of macromolecules in the interface. Based on these results, a simplified analytical model that captures the essential physics of the system has been developed. Also, this model predicts the effects of confinement on the average entropy of the polymer chains in the system.