TY  - JOUR
AU  - Mussawisade, K.
AU  - Ripoll, M.
AU  - Winkler, R. G.
AU  - Gompper, G.
TI  - Dynamics of Polymers in a Particle-Based Mesoscopic Solvent
JO  - The journal of chemical physics
VL  - 123
SN  - 0021-9606
CY  - Melville, NY
PB  - American Institute of Physics
M1  - PreJuSER-46511
SP  - 144905
PY  - 2005
N1  - Record converted from VDB: 12.11.2012
AB  - 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.
KW  - J (WoSType)
LB  - PUB:(DE-HGF)16
C6  - pmid:16238422
UR  - <Go to ISI:>//WOS:000232532000058
DO  - DOI:10.1063/1.2041527
UR  - https://juser.fz-juelich.de/record/46511
ER  -