2003/10/24 by Vladimir Lobaskin, Burkhard Duenweg, Burkhard Dünweg · 7 citations
Chemistry · Engineering · Physics and Astronomy · #Electrostatics and Colloid Interactions #Lattice Boltzmann Simulation Studies #Microfluidic and Bio-sensing Technologies #cond-mat.soft #cond-mat.stat-mech
paper · pdf · doi:10.1088/1367-2630/6/1/054
published as New J. Phys. 6, 54 (2004) · For a movie click on the link below Fig 1
arxiv created 2003/10/24 · openalex publication_date 2004/05/28 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/30
We present a new hybrid lattice-Boltzmann and Langevin molecular dynamics scheme for simulating the dynamics of suspensions of spherical colloidal particles. The solvent is modelled on the level of the lattice-Boltzmann method whereas the molecular dynamics is done for the solute. The coupling between the two is implemented through a frictional force acting both on the solvent and on the solute, which depends on the relative velocity. A spherical colloidal particle is represented by interaction sites at its surface. We demonstrate that this scheme quantitatively reproduces the translational and rotational diffusion of a neutral spherical particle in a liquid and show preliminary results for a charged spherical particle. We argue that this method is especially advantageous in the case of charged colloids.