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Computationally efficient quasi-3D model of a secondary electrode particle for enhanced prediction capability of the porous electrode model
ID Zelič, Klemen (Author), ID Katrašnik, Tomaž (Author)

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Abstract
Models of Li-ion batteries addressing a particular scale—from atomistic to continuum—have reached a certain level of maturity. Meanwhile, consistent multi-scale modelling approaches are still in their infancy despite their large potential to boost the accuracy and prediction capability of Li-ion battery models. As an answer to this challenge, the paper presents an advanced quasi-3D model of the active electrode material that tackles one of the main deficiencies of the porous-electrode theory (PET) based models which arises from a poor representation of the electrode topology. It is hypothesised that there exists a quasi-3D modelling representation of the active electrode material that adequately virtually replicates intra primary particle Li-distribution and features significantly shorter computational times compared to models featuring a fully 3D meshed electrode topology, which enables its full integration into the porous electrode model. An advanced quasi-3D model is constructed by the integration of the concentration and the chemical potential in each primary particle across its volume and by the introduction of the permeability parameter at the interfaces. Besides compatibility with PET and acceptable computational times, the model also exhibits results that are in good agreement with measured lithium concentration profiles inside secondary particles published in literature.

Language:English
Keywords:Li-ion batteries, electrode materials, active particles, quazi 3D model, porous electrode model
Work type:Article
Typology:1.01 - Original Scientific Article
Organization:FS - Faculty of Mechanical Engineering
Publication status:Published
Publication version:Version of Record
Publication date:14.04.2022
Year:2022
Number of pages:14 str.
Numbering:Vol. 169, no. 4, art. 040522
PID:20.500.12556/RUL-136617 This link opens in a new window
UDC:621.4:621.3
ISSN on article:1945-7111
DOI:10.1149/ 1945-7111/ac6323 This link opens in a new window
COBISS.SI-ID:107497987 This link opens in a new window
Publication date in RUL:12.05.2022
Views:422
Downloads:107
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Record is a part of a journal

Title:Journal of the electrochemical society
Publisher:Electrochemical Society
ISSN:1945-7111
COBISS.SI-ID:22698791 This link opens in a new window

Licences

License:CC BY 4.0, Creative Commons Attribution 4.0 International
Link:http://creativecommons.org/licenses/by/4.0/
Description:This is the standard Creative Commons license that gives others maximum freedom to do what they want with the work as long as they credit the author.
Licensing start date:14.04.2022

Secondary language

Language:Slovenian
Keywords:litij ionske baterije, elektrodni materiali, aktivni delci, kvazi 3D model, model porozne elektrode

Projects

Funder:EC - European Commission
Funding programme:Horizon 2020
Project number:957189

Funder:ARRS - Slovenian Research Agency
Project number:P2-0401
Name:Energetsko strojništvo

Funder:ARRS - Slovenian Research Agency
Project number:J2-2494
Name:Napredni večskalni model NMC katodnih materialov za izboljšane sisteme za shranjevanje energije naslednje generacije

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