Journal
JOURNAL OF COMPUTATIONAL PHYSICS
Volume 235, Issue -, Pages 764-785Publisher
ACADEMIC PRESS INC ELSEVIER SCIENCE
DOI: 10.1016/j.jcp.2012.08.043
Keywords
Natural convection; Computational electrochemistry; Galvanostatic constraint condition; Butler-Volmer-condition; Finite element method
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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 CuSO4 electrolyte solutions with and without excess of supporting H2SO4 electrolyte. (C) 2012 Published by Elsevier Inc.
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