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Multi-scale modelling of Lithium-ion batteries : from transport phenomena to the outbreak of thermal runaway
Katrašnik, Tomaž (Avtor), Mele, Igor (Avtor), Zelič, Klemen (Avtor)

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Izvleček
Multi-scale and multi-domain mathematical models capable of modelling main electrochemical reactions, side reactions and heat generation can reduce the time and cost of lithium-ion battery development and deployment, since these processes decisively influence performance, durability and safety of batteries. Experimental evidences clearly indicate the importance of the interplay between electric and thermal boundary conditions, cell design and applied materials, side reactions as well as safety implications of batteries, which are not yet captured to a sufficient level by simulations models. As an answer to this challenge, the paper presents an advanced multi-scale battery modelling framework that can be seamlessly integrated into multi-domain models. The key hypothesis is that nanoscopic transport phenomena and resulting heat generation decisively influence the entire chain of mechanisms that can lead to the outbreak of the thermal runaway. This is confirmed by developing a multi-scale battery modelling framework that is based on the continuous modelling approach featuring more consistent virtual representation of the electrode topology and incorporating the coupled chain of models for heat generations and side reactions. As a result, the battery modelling framework intuitively yet insightfully elucidates the entire chain of phenomena from electric and thermal boundary conditions, over cell design and properties of applied materials to solid electrolyte interphase growth, its decomposition and subsequent side reactions at the anode, cathode and the electrolyte that lead to the thermal runaway. One of key results comprises multi-level main and side reaction driven heat transfer cross-talk between the anode and the cathode. Therefore, the presented advanced multi-scale battery modelling framework represents a contribution to the advanced virtual development of batteries thereby contributing to tailoring battery design to a specific application.

Jezik:Angleški jezik
Ključne besede:Li-ion battery, phase separating material, continuum model, multi-scale modelling, heat generation, thermal runaway
Vrsta gradiva:Članek v reviji (dk_c)
Tipologija:1.01 - Izvirni znanstveni članek
Organizacija:FS - Fakulteta za strojništvo
Leto izida:2021
Št. strani:Str. 1-22
Številčenje:Vol. 236
UDK:621.31:519.8(045)
ISSN pri članku:0196-8904
DOI:10.1016/j.enconman.2021.114036 Povezava se odpre v novem oknu
COBISS.SI-ID:58992387 Povezava se odpre v novem oknu
Število ogledov:60
Število prenosov:38
Metapodatki:XML RDF-CHPDL DC-XML DC-RDF
 
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Gradivo je del revije

Naslov:Energy conversion and management
Skrajšan naslov:Energy convers. manage.
Založnik:Elsevier
ISSN:0196-8904
COBISS.SI-ID:2618919 Povezava se odpre v novem oknu

Gradivo je financirano iz projekta

Financer:ARRS - Agencija za raziskovalno dejavnost Republike Slovenije (ARRS)
Številka projekta:P2-0401
Naslov:Energetsko strojništvo

Financer:ARRS - Agencija za raziskovalno dejavnost Republike Slovenije (ARRS)
Številka projekta:J7-8270
Naslov:Nova generacija elektrokemijskega baterijskega modela LiFePO4

Financer:ARRS - Agencija za raziskovalno dejavnost Republike Slovenije (ARRS)
Številka projekta:J2-2494
Naslov:Napredni večskalni model NMC katodnih materialov za izboljšane sisteme za shranjevanje energije naslednje generacije

Financer:EC - European Commission
Program financ.:H2020
Številka projekta:769506
Naslov:Optimization of scalaBle rEaltime modeLs and functIonal testing for e-drive ConceptS
Akronim:OBELICS

Licence

Licenca:CC BY-NC-ND 4.0, Creative Commons Priznanje avtorstva-Nekomercialno-Brez predelav 4.0 Mednarodna
Povezava:http://creativecommons.org/licenses/by-nc-nd/4.0/deed.sl
Opis:Najbolj omejujoča licenca Creative Commons. Uporabniki lahko prenesejo in delijo delo v nekomercialne namene in ga ne smejo uporabiti za nobene druge namene.
Začetek licenciranja:09.04.2021

Sekundarni jezik

Jezik:Slovenski jezik
Ključne besede:Li-ionska baterije, material s fazno separacijo, kontinuumski model, več-skalno modeliranje, generacija toplote, termični pobeg

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