TY - JOUR
T1 - A computational approach for the simulation of natural convection in electrochemical cells
AU - Ehrl, Andreas
AU - Bauer, Georg
AU - Gravemeier, Volker
AU - Wall, Wolfgang A.
PY - 2013/2/5
Y1 - 2013/2/5
N2 - A novel computational approach for the numerical simulation of electrochemical systems influenced by natural convection phenomena is presented. A stabilized finite element framework for multiion 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.
AB - A novel computational approach for the numerical simulation of electrochemical systems influenced by natural convection phenomena is presented. A stabilized finite element framework for multiion 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.
KW - Butler-Volmer-condition
KW - Computational electrochemistry
KW - Finite element method
KW - Galvanostatic constraint condition
KW - Natural convection
UR - http://www.scopus.com/inward/record.url?scp=84872921786&partnerID=8YFLogxK
U2 - 10.1016/j.jcp.2012.08.043
DO - 10.1016/j.jcp.2012.08.043
M3 - Article
AN - SCOPUS:84872921786
SN - 0021-9991
VL - 235
SP - 764
EP - 785
JO - Journal of Computational Physics
JF - Journal of Computational Physics
ER -