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Parameterization and Validation of Mechanistic Lithium-Ion Battery Cell Formation Models

Title data

Schomburg, Felix ; Röder, Fridolin:
Parameterization and Validation of Mechanistic Lithium-Ion Battery Cell Formation Models.
SSRN , 2026
DOI: https://doi.org/10.2139/ssrn.6214210

Abstract in another language

Most of the solid-electrolyte interphase (SEI) forms during the formation process, the final step in lithium-ion battery (LIB) manufacturing. The process affects the cost, energy consumption, and aging of the battery cell. Due to the many influencing factors, the optimization of this process remains challenging. This work presents predictive mechanistic models that will allow to significantly reduce the experimental effort and thus accelerate process development. Specifically, two continuum SEI growth models (CGMs), differing by instantaneous or delayed SEI deposition, are parameterized and validated using three-electrode experimental data. CGM parameters are determined only using formation and post-formation capacity tests. Identified protocol-specific CGMs predict differences in formation-induced aging and reproduce capacity losses with good accuracy over approximately 250 cycles, i.e., the mean absolute percentage error (MAPE) is less than 9%. The best-performing CGM employs delayed deposition, supporting an initial SEI growth via a near-shore aggregation mechanism. Furthermore, protocol-independent parameters are identified that enable the prediction of end-of-formation capacity losses with a MAPE of less than 5%. Coupling the best-performing generalized CGM with a pseudo-two-dimensional model reproduces process time (MAPE < 10%), coulombic efficiency (MAPE <1%), and energy loss (MAPE < 5%) across protocols without experimental input. The proposed framework establishes a foundation for the simulation-guided optimization of LIB formation processes.

Further data

Item Type: Preprint, postprint
Keywords: Lithium-ion battery; SEI; Formation; Electrolyte; Modeling and Simulation
Institutions of the University: Faculties > Faculty of Engineering Science > Junior Professor Methods of Managing Batteries > Junior Professor Methods of Managing Batteries - Juniorprof. Dr.-Ing. Fridolin Röder
Research Institutions > Central research institutes > Bayerisches Zentrum für Batterietechnik - BayBatt
Result of work at the UBT: Yes
DDC Subjects: 600 Technology, medicine, applied sciences > 620 Engineering
Date Deposited: 12 May 2026 07:52
Last Modified: 12 May 2026 07:52
URI: https://eref.uni-bayreuth.de/id/eprint/97053