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Numerical simulation of an electrochemical system and semi-analytical method

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

1 Energiespeicher- und Energiewandlersysteme, Universit├Ąt Bremen, Bibliothekstra├če1, Bremen 28359, Germany

* Corresponding authors emails: taherkhani@uni-bremen.de, brogioli@uni-bremen.de, lamantia@uni-bremen.de
DOI10.24435/materialscloud:eh-fj [version v2]

Publication date: Dec 19, 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 2022.176 (2022), doi: 10.24435/materialscloud:eh-fj.

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. For each model, we provide the .mph file (Comsol) and the .java file (Java+Comsol). 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:b33f9c0ff66bcd886536df01b4c22b77
50.8 KiB COMSOL model as Java file with the fully numerical calculation.
Model_Redox_Numerical.mph
MD5md5:7662639f801022f2b0bc615fc94e9143
812.0 KiB COMSOL model file with the fully numerical calculation.
Model_Redox_Semianalytical.java
MD5md5:c398848612adedb376ca05dd45128563
209.8 KiB COMSOL model as Java file with the semi-analytical calculation.
Model_Redox_Semianalytical.mph
MD5md5:f5a8b28a6871336b541354513570be12
7.3 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.

Keywords

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

Version history:

2022.176 (version v2) [This version] Dec 19, 2022 DOI10.24435/materialscloud:eh-fj
2022.71 (version v1) Jun 03, 2022 DOI10.24435/materialscloud:5e-39