title: Dissipative particle dynamics simulations in the grand canonical ensemble: applications to polymer brushes.
abstract: We have used the dissipative particle dynamics (DPD) method in the grand canonical ensemble to study the compression of grafted polymer brushes in good solvent conditions. The force-distance profiles calculated from DPD simulations in the grand canonical ensemble are in very good agreement with the self-consistent field (SCF) theoretical models and with experimental results for two polystyrene brush layers grafted onto mica surfaces in toluene.
authors.affiliation: Laboratoire de Thermodynamique des Solutions et des Polymères UMR CNRS 6003, Université Blaise Pascal, 63177 Aubière, France.
authors.forename: Florent
authors.initials: F
authors.lastname: Goujon
authors.forename: Patrice
authors.initials: P
authors.lastname: Malfreyt
authors.forename: Dominic J
authors.initials: DJ
authors.lastname: Tildesley