Computationally efficient quasi-3D model of a secondary electrode particle for enhanced prediction capability of the porous electrode model

Zelič, Klemen (author), Katrašnik, Tomaž (author)

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
• UDC: 621.4:621.3
• ISSN on article: 1945-7111
• DOI: 10.1149/ 1945-7111/ac6323
• COBISS.SI-ID: 107497987
• Publication date in RUL: 12.05.2022

Record is a part of a journal

• Title: Journal of the electrochemical society
• Publisher: Electrochemical Society
• ISSN: 1945-7111
• COBISS.SI-ID: 22698791

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