Macromolecules, Vol.33, No.2, 634-640, 2000
Individual polymer paths and end-point stretching in polymer brushes
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.
Keywords:MOLECULAR-DYNAMICS SIMULATION;DIBLOCK COPOLYMER MONOLAYERS;CONSISTENT-FIELD-THEORY;MONTE-CARLO SIMULATION;BLOCKCOPOLYMERS;GRAFTED POLYMERS;CLASSICAL-THEORY;LAYERS;INTERFACE;FORCES