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Numerical simulation of an electrochemical system and semi-analytical method

Farid Taherkhani1*, Doriano Brogioli1*, Fabio La Mantia1*

1 University of Bremen

* Corresponding authors emails: taherkhani@uni-bremen.de, brogioli@uni-bremen.de, lamantia@uni-bremen.de
DOI10.24435/materialscloud:5e-39 [version v1]

Publication date: Jun 03, 2022

How to cite this record

Farid Taherkhani, Doriano Brogioli, Fabio La Mantia, Numerical simulation of an electrochemical system and semi-analytical method, Materials Cloud Archive 2022.71 (2022), doi: 10.24435/materialscloud:5e-39.


Electrochemical systems are often simulated by using numerical methods based on finite element solution of differential equations. We developed a method to decrease the needed computational resources, based on the analytical solution of a part of the system: the obtained analytical equations are applied as boundary conditions to the finite element calculation. The part of the system that is analytically solved is the region of the diffuse double layer. We provide two COMSOL models: i) a 1d fully numerical calculation and ii) the same simulation performed with the semi-analytical method. We also provide examples of the resulting impedances and frequency responses of various parameters.

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File name Size Description
48.8 KiB COMSOL model as Java file with the fully numerical calculation.
1.1 MiB COMSOL model file with the fully numerical calculation.
200.6 KiB COMSOL model as Java file with the semi-analytical calculation.
11.7 MiB COMSOL model file with the semi-analytical calculation.
25.2 KiB Examples of results obtained with the models. A README.txt file, with detailed descriptions, is included.


Files and data are licensed under the terms of the following license: Creative Commons Attribution 4.0 International.
Metadata, except for email addresses, are licensed under the Creative Commons Attribution Share-Alike 4.0 International license.

External references

Journal reference (Paper where the model is discussed.)
"Numerical simulation of electrochemical systems by coupling analytical calculation of the diffuse double layer and finite element description of solution bulk", Farid Taherkhani, Doriano Brogioli, and Fabio La Mantia. Submitted to Electroanalysis on 2 June 2022.


Finite element method Semi-analytical solution Electrochemical system Diffuse double layer

Version history:

2022.71 (version v1) [This version] Jun 03, 2022 DOI10.24435/materialscloud:5e-39