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

Title data

Baakes, Florian ; Lüthe, M. ; Gerasimov, M. ; Laue, V. ; Röder, Fridolin ; Balbuena, P. B. ; Krewer, U.:
Unveiling the interaction of reactions and phase transition during thermal abuse of Li-ion batteries.
In: Journal of Power Sources. Vol. 522 (2022) . - No. 230881.
ISSN 0378-7753
DOI: https://doi.org/10.1016/j.jpowsour.2021.230881

Official URL:

Abstract in another language

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. Further analysis revealed that the rising pressure, stemming from gassing reactions, can suppress solvent boiling until the thermal runaway occurs.

Further data

Item Type:	Article in a journal
Refereed:	Yes
Keywords:	Self-heating; Endothermic and exothermic degradation reactions; Solid electrolyte interphase; Water; Phase equilibria; Boiling
Institutions of the University:	Faculties > Faculty of Engineering Science > Junior Professor Methods of Monitoring and Managing Batteries Faculties > Faculty of Engineering Science > Junior Professor Methods of Monitoring and Managing Batteries > Junior Professor Methods of Monitoring and Managing Batteries - Juniorprof. Dr.-Ing. Fridolin Röder Research Institutions > Research Centres > Bayerisches Zentrum für Batterietechnik - BayBatt Faculties Faculties > Faculty of Engineering Science Research Institutions Research Institutions > Research Centres
Result of work at the UBT:	Yes
DDC Subjects:	600 Technology, medicine, applied sciences > 620 Engineering
Date Deposited:	21 Jan 2022 08:02
Last Modified:	13 Jul 2022 09:38
URI:	https://eref.uni-bayreuth.de/id/eprint/68431