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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.

Description

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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Files

File name Size Description
Model_Redox_Numerical.java
MD5md5:35004a892b1718ee67a6003047401d01
48.8 KiB COMSOL model as Java file with the fully numerical calculation.
Model_Redox_Numerical.mph
MD5md5:3140262043a79d4d2d6d90778a3dd67c
1.1 MiB COMSOL model file with the fully numerical calculation.
Model_Redox_Semianalytical.java
MD5md5:ee94814efc5d5881b3900e6fa1850e89
200.6 KiB COMSOL model as Java file with the semi-analytical calculation.
Model_Redox_Semianalytical.mph
MD5md5:08b8e68ae61fc4e6c4272436d4078520
11.7 MiB COMSOL model file with the semi-analytical calculation.
data_files.zip
MD5md5:ec9bca909e52481df559c61919d19c53
25.2 KiB Examples of results obtained with the models. A README.txt file, with detailed descriptions, is included.

License

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.

Keywords

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