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Numerical Simulation of Electrochemical Systems by Coupling Analytical Calculation of the Diffuse Double Layer and Finite Element Description of Solution Bulk
Author(s) -
Taherkhani Farid,
Brogioli Doriano,
La Mantia Fabio
Publication year - 2023
Publication title -
electroanalysis
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.574
H-Index - 128
eISSN - 1521-4109
pISSN - 1040-0397
DOI - 10.1002/elan.202200257
Subject(s) - finite element method , coupling (piping) , nanometre , electrolyte , partial differential equation , electrochemistry , boundary value problem , layer (electronics) , plane (geometry) , double layer (biology) , numerical analysis , electrode , materials science , mathematical analysis , physics , chemistry , mathematics , geometry , thermodynamics , composite material
Numerical modelling of electrochemical systems covers length scales from the nanometers up to the macroscopic scale. With finite element methods, the mesh must be extremely fine to describe the diffuse double layer, thus increasing the needed computational resources. We propose a method to describe the diffuse double layer by analytical equations, expressed as boundary conditions for the partial differential equations describing the solution bulk. We apply the method to a one‐dimensional system, i. e. to a cell with plane parallel electrodes, in the presence of a redox couple and a supporting electrolyte. We provide evidence of the precision of the method.