From Brownian dynamics to Poisson-Nernst-Planck equations: multi-resolution simulations of ions
Abstract
Starting with a microscopic (individual-based) Brownian dynamics model of charged particles (ions), its macroscopic description is derived as a system of partial differential equations that govern the evolution of ion concentrations in space and time. The macroscopic equations are obtained in the form of the Poisson-Nernst-Planck system. A multi-resolution method for simulating charged particles is then developed, combining the detailed Brownian dynamics model in a part of the computational domain with coarser macroscopic equations in the remainder. The strengths, limitations, and applicability of microscopic, macroscopic, and multi-resolution simulation approaches are demonstrated through an illustrative model comprising a system of Na and Cl ions.
Keywords
Cite
@article{arxiv.2506.19738,
title = {From Brownian dynamics to Poisson-Nernst-Planck equations: multi-resolution simulations of ions},
author = {Jinyuan Zhang and Radek Erban},
journal= {arXiv preprint arXiv:2506.19738},
year = {2025}
}