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000155674 1001_ $$0P:(DE-Juel1)130972$$aSingh, Sunil Pratap$$b0$$eCorresponding Author$$ufzj
000155674 245__ $$aHydrodynamic correlations and diffusion coefficient of star polymers in solution
000155674 260__ $$aMelville, NY$$bAmerican Institute of Physics$$c2014
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000155674 520__ $$aThe 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.
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000155674 7001_ $$0P:(DE-Juel1)130724$$aHuang, Chien-Cheng$$b1$$ufzj
000155674 7001_ $$0P:(DE-Juel1)131033$$aWestphal, Elmar$$b2
000155674 7001_ $$0P:(DE-Juel1)130665$$aGompper, Gerhard$$b3$$ufzj
000155674 7001_ $$0P:(DE-Juel1)131039$$aWinkler, Roland G.$$b4$$ufzj
000155674 773__ $$0PERI:(DE-600)1473050-9$$a10.1063/1.4893766$$p084901$$tThe @journal of chemical physics$$v141$$x1089-7690$$y2014
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