Monte Carlo and numerical self-consistent field study of end-tethered polymers in good solvent

Abstract

We present a Monte Carlo (MC) and numerical self-consistent field (NSCF) study of end-tethered polymers in good solvent, for surface coverages found in most experiments. Properties of the system, including the layer thickness, are calculated as functions of the degree of polymerization and surface density of the chains. A lower limit on the range of surface coverage above which the NSCF approach agrees well with the MC simulations is identified. Both approaches indicate that chain stretching begins at very low coverage, but that it remains modest throughout the regime of interest. The layer thickness does not scale linearly with degree of polymerization, and the radius of gyration of a free polymer in solution remains a relevant length scale. The MC and NSCF results are in good agreement with experiment.