Berlin 2005 – scientific programme

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CPP: Chemische Physik und Polymerphysik

CPP 22: Colloids

CPP 22.3: Talk

Tuesday, March 8, 2005, 11:45–12:00, TU C243

Study of Transport Phenomena in (Charged) Colloids: A Hybrid MD-LB Simulation Method — •Apratim Chatterji and Jürgen Horbach — Institut für Physik, Johannes Guutenberg-Universität Mainz, Staudinger Weg 7, D-55099 Mainz, Germany

We present a hybrid computational scheme for the simulation of (charged) colloidal dispersions where the colloids are propagated via molecular dynamics (MD) while they are coupled to a Lattice-Boltzmann (LB) fluid to model the hydrodynamic mass and momentum transport. We consider explicitly a system of spherical macroions, counterions and coions in the framework of the primitive model. We study electrokinetic effects by measuring the effective charge of a macroion, surrounded by counterions and coions, moving in an electric field. Moreover, we present translational and rotational diffusion constants as a function of the colloid packing fraction for neutral and charged colloidal systems.