Robert Barnett
Electrochemical transport modelling and open-source simulation of pore-scale solid–liquid systems
Barnett, Robert; Municchi, Federico; King, John; Icardi, Matteo
Authors
Federico Municchi
JOHN KING JOHN.KING@NOTTINGHAM.AC.UK
Professor of Theoretical Mechanics
Dr MATTEO ICARDI MATTEO.ICARDI@NOTTINGHAM.AC.UK
Associate Professor
Abstract
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 involving 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 OpenFOAM® , capable of describing an arbitrary number of electrochemical species over multiple interacting (solid or fluid) domains (Icardi and Barnett in F Municchi spnpFoam, 2021. https://doi.org/10.5281/zenodo.4973896). We provide a 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 of a general-purpose open-source flexible modelling tool for problems in electrochemistry and electrokinetics at different scales.
Citation
Barnett, R., Municchi, F., King, J., & Icardi, M. (2023). Electrochemical transport modelling and open-source simulation of pore-scale solid–liquid systems. Engineering with Computers, 39(6), 4129-4152. https://doi.org/10.1007/s00366-023-01828-5
Journal Article Type | Article |
---|---|
Acceptance Date | Apr 19, 2023 |
Online Publication Date | Sep 26, 2023 |
Publication Date | Sep 26, 2023 |
Deposit Date | Oct 2, 2023 |
Publicly Available Date | Oct 20, 2023 |
Journal | Engineering with Computers |
Print ISSN | 0177-0667 |
Electronic ISSN | 1435-5663 |
Publisher | Springer Verlag |
Peer Reviewed | Peer Reviewed |
Volume | 39 |
Issue | 6 |
Pages | 4129-4152 |
DOI | https://doi.org/10.1007/s00366-023-01828-5 |
Keywords | Electrochemical modelling · Stokes-Poisson-Nernst-Planck · OpenFOAM · Porous media · Fluid-solid systems |
Public URL | https://nottingham-repository.worktribe.com/output/25395332 |
Additional Information | Received: 27 December 2022; Accepted: 19 April 2023; First Online: 26 September 2023; : ; : The authors declare that they have no conflicts of interest. MI and RB have been supported by the University of Nottingham Impact Acceleration Award. |
Files
s00366-023-01828-5
(3.8 Mb)
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Publisher Licence URL
https://creativecommons.org/licenses/by/4.0/
Copyright Statement
© The Author(s) 2023
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