Regensburg 2004 – scientific programme

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DY: Dynamik und Statistische Physik

DY 51: Polymers and Colloids

DY 51.7: Talk

Friday, March 12, 2004, 12:15–12:30, H3

Simulation of Polymer Dynamics in a Mesoscopic Solvent — •Kiaresch Mussawisade, Marisol Ripoll, Roland G. Winkler, and Gerhard Gompper — Institut Theorie II, Forschungszentrum Jülich, D-52425 Jülich

We study the dynamics of a polymer chain in a mesoscopic solvent by combining Multi-Particle-Collision dynamics (MPCD) and molecular dynamics simulations (MD). In particular, we are interested in hydrodynamic interactions obtained by this method and their influence on the dynamics of the polymer chain. One of the advantages of this method, compared to other simulation methods, is that the viscosity of the solvent can easily be tuned by changing the system parameters. We observe an increased diffusion coefficient of the polymer chain in our simulations which we attribute to the hydrodynamic interactions. On the other hand, by considering the relaxation modes of the polymer chain, we find that the strength of the hydrodynamic interactions depends strongly on the particular choice of the parameter set so that both Rouse- and Zimm-like dynamics can be obtained. We have studied chains with and without excluded volume interactions between the polymer beads. Zimm-like scaling of the relaxation mode amplitudes is found in both cases at large Schmidt numbers.