%0 Journal Article
%A Mussawisade, K.
%A Ripoll, M.
%A Winkler, R. G.
%A Gompper, G.
%T Dynamics of Polymers in a Particle-Based Mesoscopic Solvent
%J The journal of chemical physics
%V 123
%@ 0021-9606
%C Melville, NY
%I American Institute of Physics
%M PreJuSER-46511
%P 144905
%D 2005
%Z Record converted from VDB: 12.11.2012
%X 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.
%K J (WoSType)
%F PUB:(DE-HGF)16
%9 Journal Article
%$ pmid:16238422
%U <Go to ISI:>//WOS:000232532000058
%R 10.1063/1.2041527
%U https://juser.fz-juelich.de/record/46511