IWNET

2006

4th International workshop on nonequilibrium thermodynamics and complex fluids
3-7 september 2006, Rhodes, Greece
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ORAL PRESENTATION
Session: 2 Multiscale modeling and molecular simulations
(scheduled: Monday, 11:10 )

Computer Simulation of Colloidal Electrophoresis

B. Dünweg, V. Lobaskin, K. Seethalakshmy-Hariharan, C. Holm
Max Planck Institute for Polymer Research, Mainz, Germany

We study the motion of a charged colloidal sphere surrounded by solvent, counterions, and salt ions, under the influence of an external electric field. The ions are modeled as particles which interact dissipatively with a lattice Boltzmann background, such that hydrodynamic interactions are taken into account. Similarly, the colloid is modeled as a spherical array of such point particles. Finite concentration values are taken into account by simulating the system in a box with periodic boundary conditions. In terms of dimensionless reduced parameters, the results compare favorably with experimental data. As a complementary approach, we solve the electrokinetic equations by a finite element method. © IWNET 2006
© and Kleanthi for IWNET 2006