A new model for simulating colloidal dynamics

@article{citeulike:2693571, abstract = {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.}, author = {Lobaskin, Vladimir and D\&\#252;nweg, Burkhard }, citeulike-article-id = {2693571}, doi = {10.1088/1367-2630/6/1/054}, journal = {New Journal of Physics}, keywords = {electrophresis, lattice\_boltzmann}, pages = {54}, posted-at = {2008-04-20 21:11:14}, priority = {2}, title = {A new model for simulating colloidal dynamics}, url = {http://dx.doi.org/10.1088/1367-2630/6/1/054}, volume = {6}, year = {2004} }

TY - JOUR ID - citeulike:2693571 L3 - citeulike-article-id:2693571 TI - A new model for simulating colloidal dynamics JF - New Journal of Physics VL - 6 SP - 54 EP - 54 N2 - 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. KW - electrophresis KW - lattice_boltzmann AU - Lobaskin, Vladimir AU - Dünweg, Burkhard PY - 2004/// UR - http://dx.doi.org/10.1088/1367-2630/6/1/054 ER -