6533b85dfe1ef96bd12be5f0

RESEARCH PRODUCT

Monte Carlo simulations of chain dynamics in polymer brushes

Pik Yin LaiJ. P. WittmerJ. P. WittmerKurt Binder

subject

chemistry.chemical_classificationQuantitative Biology::BiomoleculesChemistryRelaxation (NMR)Monte Carlo methodAnchoringPolymerCondensed Matter::Soft Condensed MatterMolecular dynamicsChain (algebraic topology)Chemical physicsStatistical physicsPhysical and Theoretical ChemistryScalingWorm-like chain

description

The bond-fluctuation model of polymer chains has been used to study layers of end-grafted polymers anchoring at repulsive walls for a broad range of chain length, grafting densities and solvent quality. The dynamics of monomers and associated relaxation times are investigated and interpreted by phenomenological theories and scaling arguments. The case is also considered where a chain is cut off from its anchor point and the chain is subsequently expelled from the brush. Both the velocity with which the chain leaves the brush and the associated conformational changes (chain contraction etc.) are analysed and interpreted in terms of recent theoretical concepts.

yearjournalcountryeditionlanguage
1994-01-01Faraday Discussions
https://doi.org/10.1039/fd9949800097