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Unveiling the interaction of reactions and phase transition during thermal abuse of Li-ion batteries

Baakes, Florian ORCID iD icon; Lüthe, Maximilian; Gerasimov, Michail ORCID iD icon 1; Laue, Vincent; Röder, Fridolin; Balbuena, Perla B.; Krewer, Ulrike ORCID iD icon 1
1 Institut für Angewandte Materialien – Elektrochemische Technologien (IAM-ET1), Karlsruher Institut für Technologie (KIT)

Abstract:

Safety considerations have always accompanied the development of new battery chemistries; this holds especially for the Li-ion battery with its highly reactive components. An overall assessment and decrease of risks of catastrophic failures such as during thermal runaway, requires an in-depth and quantitative understanding of the ongoing processes and their interaction. This can be provided by predictive mathematical models. Thus, we developed a thermal runaway model that focuses on rigorous modelling of thermodynamic properties and reactions of each component within a Li-ion battery. Moreover, the presented model considers vapour–liquid equilibria of a binary solvent mixture for the first time. Simulations show a fragile equilibrium between endothermic and exothermic reactions, such as LiPF6 and LEDC decomposition, in the early phases of self-heating. Further, an autocatalytic cycle involving the production of HF and the SEI component Li2CO3 could be revealed. Additionally, the unpredictability of the thermal runaway could be directly correlated to availability of LEDC or contaminants such as water. Also, solvent boiling can have a significant influence on the self-heating phase of a Li-ion battery, due to its endothermic nature. ... mehr

Zugehörige Institution(en) am KIT Institut für Angewandte Materialien – Elektrochemische Technologien (IAM-ET1)
Institut für Angewandte Materialien – Keramische Werkstoffe und Technologien (IAM-KWT1)
Publikationstyp Zeitschriftenaufsatz
Publikationsdatum 28.02.2022
Sprache Englisch
Identifikator ISSN: 0378-7753, 1873-2755
KITopen-ID: 1000142384
Erschienen in Journal of Power Sources
Verlag Elsevier
Band 522
Seiten Art.-Nr.: 230881
Vorab online veröffentlicht am 17.01.2022
Nachgewiesen in Dimensions
Scopus
Web of Science
Relationen in KITopen
Globale Ziele für nachhaltige Entwicklung Ziel 7 – Bezahlbare und saubere Energie

Verlagsausgabe §
DOI: 10.5445/IR/1000142384
Veröffentlicht am 27.01.2022
Originalveröffentlichung
DOI: 10.1016/j.jpowsour.2021.230881
Scopus
Zitationen: 32
Web of Science
Zitationen: 27
Dimensions
Zitationen: 33
Seitenaufrufe: 105
seit 29.01.2022
Downloads: 190
seit 30.01.2022
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