TY  - JOUR
AU  - Singh, Sunil Pratap
AU  - Huang, Chien-Cheng
AU  - Westphal, Elmar
AU  - Gompper, Gerhard
AU  - Winkler, Roland G.
TI  - Hydrodynamic correlations and diffusion coefficient of star polymers in solution
JO  - The journal of chemical physics
VL  - 141
SN  - 1089-7690
CY  - Melville, NY
PB  - American Institute of Physics
M1  - FZJ-2014-04727
SP  - 084901
PY  - 2014
AB  - The center-of-mass dynamics of star polymers in dilute solution is analyzed by hybrid mesoscale simulations. The fluid is modeled by the multiparticle collision dynamics approach, a particle-based hydrodynamic simulation technique, which is combined with molecular dynamics simulations for the polymers. Star polymers of various functionalities are considered. We determine the center-of-mass velocity correlation functions, the corresponding mean square displacements, and diffusion coefficients. The velocity correlation functions exhibit a functionality-dependent and structure-specific intermediate time regime, with a slow decay. It is followed by the long-time tail t −3/2, which is solely determined by the fluid. Infinite-system-size diffusion coefficients are determined from the velocity correlation function by a combination of simulation and analytical results, as well as from the center-of-mass mean square displacement for various systems sizes and extrapolation. In terms of the hydrodynamic radius, the star polymer hydrodynamic diffusion coefficient exhibits the same universal system-size dependence as a spherical colloid. The functionality dependence of the ratio of hydrodynamic radii and the radii of gyration agrees well with experimental predictions.
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000341987600045
DO  - DOI:10.1063/1.4893766
UR  - https://juser.fz-juelich.de/record/155674
ER  -