A 3D finite element approach for the coupled numerical simulation of electrochemical systems and fluid flow

• Published in: International journal for numerical methods in engineering Vol. 86; no. 11; pp. 1339 - 1359
• Main Authors: Bauer, Georg, Gravemeier, Volker, Wall, Wolfgang A.
• Format: Journal Article
• Language: English
• Published: Chichester, UK John Wiley & Sons, Ltd 17.06.2011; Wiley
• Subjects: Algebra; Boundary conditions; Chemistry; computational electrochemistry; Computer simulation; Electrochemistry; electrolyte solution; electroneutrality condition; Exact sciences and technology; Finite element method; Fluid dynamics; Fundamental areas of phenomenology (including applications); General and physical chemistry; General theory; ion transport; Mathematical analysis; Mathematical models; Nonlinearity; Physics; Properties of electrolytes: conductivity; Three dimensional; transient convection-diffusion-migration equation; Turbulence simulation and modeling; Turbulent flows, convection, and heat transfer; Stresses; Transport equation; Transient response; Nonlinear equations; Fluid flow; electroneutrality condition; Ion transport; Boundary conditions; Convection diffusion equation; electrolyte solution; Convection; Stationary condition; Finite element method; Phenomenological model; Electrochemical properties; Ion mobility; computational electrochemistry; Modelling; Kinetics; Non linear effect; Transport theory; transient convection―diffusion―migration equation
• ISSN: 0029-5981; 1097-0207; 1097-0207
• DOI: 10.1002/nme.3107

A comprehensive finite element method for three‐dimensional simulations of stationary and transient electrochemical systems including all multi‐ion transport mechanisms (convection, diffusion and migration) is presented. In addition, non‐linear phenomenological electrode kinetics boundary conditions are accounted for. The governing equations form a set of coupled non‐linear partial differential equations subject to an algebraic constraint due to the electroneutrality condition. The advantage of a convective formulation of the ion‐transport equations with respect to a natural application of homogeneous flux boundary conditions is emphasized. For one of the numerical examples, an analytical solution for the coupled problem is provided, and it is demonstrated that the proposed computational approach is robust and provides accurate results. Copyright © 2011 John Wiley & Sons, Ltd.