2004/04/02 by J. Dobnikar, Jure Dobnikar, David Haložan +7 · 1 citation
Chemistry · Earth and Planetary Sciences · Engineering · Physics and Astronomy · #Electrostatics and Colloid Interactions #Geophysical and Geoelectrical Methods #Microfluidic and Bio-sensing Technologies #cond-mat.soft
paper · pdf · doi:10.1016/j.cpc.2003.10.001
published as Computer Phys. Comm. 159 (2), 73-92 (2004)
openalex publication_date 2004/04/02 · arxiv created 2008/01/25 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
We describe a method to simulate the dynamics of charged colloidal particles suspended in a liquid containing dissociated ions and salt ions. Regimes of prime current interest are those of large volume fraction of colloids, highly charged particles and low salt concentrations. A description which is tractable under these conditions is obtained by treating the small dissociated and salt ions as continuous fields, while keeping the colloidal macroions as discrete particles. For each spatial configuration of the macroions, the electrostatic potential arising from all charges in the system is determined by solving the nonlinear Poisson--Boltzmann equation. From the electrostatic potential, the forces acting on the macroions are calculated and used in a Brownian dynamics simulation to obtain the motion of the latter. The method is validated by comparison to known results in a parameter regime where the effective interaction between the macroions is of a pairwise Yukawa form.