A computational approach for the simulation of natural convection in electrochemical cells

Authors:
Andreas Ehrl;Georg Bauer;Volker Gravemeier;Wolfgang A. Wall
Affiliations:
Institute for Computational Mechanics, Technische Universität München, Boltzmannstr. 15, D-85748 Garching, Germany;Institute for Computational Mechanics, Technische Universität München, Boltzmannstr. 15, D-85748 Garching, Germany;Institute for Computational Mechanics, Technische Universität München, Boltzmannstr. 15, D-85748 Garching, Germany and Emmy Noether Research Group "Computational Multiscale Methods for T ...;Institute for Computational Mechanics, Technische Universität München, Boltzmannstr. 15, D-85748 Garching, Germany
Venue:
Journal of Computational Physics
Year:
2013

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Abstract

A novel computational approach for the numerical simulation of electrochemical systems influenced by natural convection phenomena is presented. A stabilized finite element framework for multi-ion transport mechanisms including convection, diffusion and migration coupled to an incompressible flow solver is developed. The role of a galvanostatic Butler-Volmer condition including the interaction of ionic concentration at the surface of the electrode and the surface overpotential is emphasized, to obtain a non-uniform surface overpotential distribution. Additionally, a three-dimensional rotationally-symmetric boundary condition is used for modeling rotating cylinder electrodes. The computational framework is tested for various numerical examples exhibiting two- and three-dimensional electrochemical cell configurations including dilute CuSO"4 electrolyte solutions with and without excess of supporting H"2SO"4 electrolyte.