A stabilized finite element method for the numerical simulation of multi-ion transport in electrochemical systems

A stabilized finite element method for the simulation of instationary and stationary multi-ion transport in dilute electrolyte solutions is presented. The proposed computational approach accounts for all three ion-transport phenomena, that is, convection, diffusion and migration, as well as nonlinea...

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Bibliographic Details
Published in:Computer methods in applied mechanics and engineering Vol. 223-224; pp. 199 - 210
Main Authors: Bauer, Georg, Gravemeier, Volker, Wall, Wolfgang A.
Format: Journal Article
Language:English
Published: Kidlington Elsevier B.V 01.06.2012
Elsevier
Subjects:
Algebra
Chemistry
Computation
Computational electrochemistry
Computational methods in fluid dynamics
Computer simulation
Convection and heat transfer
Electrochemical systems
Electrochemistry
Electrolyte solution
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
Multiscale methods
Physics
Properties of electrolytes: conductivity
Stabilized finite element method
Transport
Turbulent flows, convection, and heat transfer
Variational multiscale method
Ion transport
Variational multiscale method
Stabilized finite element method
Electrochemical systems
Electrolyte solution
Computational electrochemistry
Partial differential equations
Stabilization
Convection diffusion equation
Finite element method
Dilute solution
Variational calculus
Modelling
Chemistry computing
Stresses
Digital simulation
Boundary conditions
Stationary condition
Galerkin-Petrov method
Electrochemical properties
Ion mobility
Multiscale method
Electrochemistry
Transport processes
Kinetics
Non linear effect
ISSN:0045-7825, 1879-2138
Online Access:Get full text
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Summary:A stabilized finite element method for the simulation of instationary and stationary multi-ion transport in dilute electrolyte solutions is presented. The proposed computational approach accounts for all three ion-transport phenomena, that is, convection, diffusion and migration, as well as nonlinear electrode kinetics boundary conditions. The governing equations form a set of coupled nonlinear partial differential equations subject to an electroneutrality condition. The latter establishes an algebraic constraint to the problem formulation. Derived from the variational multiscale method, we introduce stabilization terms which prevent potential spurious oscillations arising in the convection-dominated case when a standard Galerkin finite element method is used. For various numerical examples, it is demonstrated that the proposed computational method is robust and provides accurate results.
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ISSN:0045-7825
1879-2138
DOI:10.1016/j.cma.2012.02.003