A new model for simulating colloidal dynamics

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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 modeled on the level of the lattice-Boltzmann method while 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.
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Soft Condensed Matter, Statistical Mechanics

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http://salesiana.dossiersoluciones.com/handle/123456789/132032

Consulte el texto completo en el siguiente enlace:

https://arxiv.org/abs/cond-mat/0310598
 http://arxiv.org/abs/cond-mat/0310598
 New J. Phys. 6, 54 (2004)
 doi:10.1088/1367-2630/6/1/054

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arXiv