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| 001 | 155674 | ||
| 005 | 20240610121146.0 | ||
| 024 | 7 | _ | |a 10.1063/1.4893766 |2 doi |
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| 037 | _ | _ | |a FZJ-2014-04727 |
| 082 | _ | _ | |a 540 |
| 100 | 1 | _ | |a Singh, Sunil Pratap |0 P:(DE-Juel1)130972 |b 0 |e Corresponding Author |u fzj |
| 245 | _ | _ | |a Hydrodynamic correlations and diffusion coefficient of star polymers in solution |
| 260 | _ | _ | |a Melville, NY |c 2014 |b American Institute of Physics |
| 336 | 7 | _ | |a article |2 DRIVER |
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| 520 | _ | _ | |a 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. |
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| 700 | 1 | _ | |a Gompper, Gerhard |0 P:(DE-Juel1)130665 |b 3 |u fzj |
| 700 | 1 | _ | |a Winkler, Roland G. |0 P:(DE-Juel1)131039 |b 4 |u fzj |
| 773 | _ | _ | |a 10.1063/1.4893766 |0 PERI:(DE-600)1473050-9 |p 084901 |t The @journal of chemical physics |v 141 |y 2014 |x 1089-7690 |
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