title: Dynamics of polymers in a particle-based mesoscopic solvent.
abstract: We study the dynamics of flexible polymer chains in solution by combining multiparticle-collision dynamics (MPCD), a mesoscale simulation method, and molecular-dynamics simulations. Polymers with and without excluded-volume interactions are considered. With an appropriate choice of the collision time step for the MPCD solvent, hydrodynamic interactions build up properly. For the center-of-mass diffusion coefficient, scaling with respect to polymer length is found to hold already for rather short chains. The center-of-mass velocity autocorrelation function displays a long-time tail which decays algebraically as (Dt)(-3/2) as a function of time t, where D is the diffusion coefficient. The analysis of the intramolecular dynamics in terms of Rouse modes yields excellent agreement between simulation data and results of the Zimm model for the mode-number dependence of the mode-amplitude correlation functions.
authors.affiliation: Institut für Festkörperforschung, Forschungszentrum Jülich, 52425 Jülich, Germany.
authors.forename: K
authors.initials: K
authors.lastname: Mussawisade
authors.forename: M
authors.initials: M
authors.lastname: Ripoll
authors.forename: R G
authors.initials: RG
authors.lastname: Winkler
authors.forename: G
authors.initials: G
authors.lastname: Gompper