A new model for simulating colloidal dynamics

TL;DR

This paper introduces a hybrid simulation method combining lattice-Boltzmann and Langevin dynamics to accurately model colloidal particle behavior, especially useful for charged colloids, by capturing both solvent and particle dynamics.

Contribution

The paper presents a novel hybrid simulation scheme that effectively couples lattice-Boltzmann and Langevin dynamics for colloidal suspensions, including charged particles.

Findings

Successfully reproduces translational and rotational diffusion of neutral colloids.

Preliminary results indicate applicability to charged colloids.

Method offers advantages for simulating charged colloidal systems.

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 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.