2022/12/27 by R. N. Barnett, Federico Municchi, Barnett, Robert +5
Earth and Planetary Sciences · Engineering · #Computational Physics (physics.comp-ph) #Electrokinetic Soil Remediation Techniques #FOS: Mathematics #FOS: Physical sciences #Fluid Dynamics (physics.flu-dyn) #Geophysical and Geoelectrical Methods #Nanopore and Nanochannel Transport Studies #Numerical Analysis (math.NA)
paper · pdf · doi:10.48550/arxiv.2212.13519
openalex publication_date 2022/12/27 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
The modelling of electrokinetic flows is a critical aspect spanning many industrial applications and research fields. This has introduced great demand in flexible numerical solvers to describe these flows. The underlying phenomena are microscopic, non-linear, and often involve multiple domains. Therefore often model assumptions and several numerical approximations are introduced to simplify the solution. In this work, we present a multi-domain multi-species electrokinetic flow model including complex interface and bulk reactions. After a dimensional analysis and an overview of some limiting regimes, we present a set of general purpose finite-volume solvers, based on \of, capable of describing an arbitrary number of electrochemical species over multiple interacting (solid or fluid) domains \citespnpfoam. We provide verification of the computational approach for several cases involving electrokinetic flows, reactions between species, and complex geometries. We first present three one-dimensional verification test cases, and then show the capability of the solver to tackle two- and three-dimensional electrically driven flows and ionic transport in random porous structures. The purpose of this work is to lay the foundation for a general-purpose open-source flexible modelling tool for problems in electrochemistry and electrokinetics at different scales.