Individual Polymer Paths and End-Point Stretching in Polymer Brushes

Abstract

Molecular dynamics simulations and self-consistent field calculations have been used to study average polymer paths of end-grafted, strongly overlapping polymers in a good solvent. Contrary to what is usually assumed, and in agreement with earlier classical and self-consistent field results, we find the end points of average polymer paths which end at a certain distance from the grafting surface to be stretched. The agreement between simulations and self-consistent calculations clearly demonstrates that end-point stretching effects, appearing for the experimentally relevant case of finite-length and finitely stretched polymers, are not suppressed by fluctuations.