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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
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.
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| Publikationsform: | Preprint, Postprint |
|---|---|
| Keywords: | Lithium-ion battery; SEI; Formation; Electrolyte; Modeling and Simulation |
| Institutionen der Universität: | Fakultäten > Fakultät für Ingenieurwissenschaften > Juniorprofessur Methoden des Batteriemanagements > Juniorprofessur Methoden des Batteriemanagements - Juniorprof. Dr.-Ing. Fridolin Röder Forschungseinrichtungen > Zentrale wissenschaftliche Einrichtungen > Bayerisches Zentrum für Batterietechnik - BayBatt |
| Titel an der UBT entstanden: | Ja |
| Themengebiete aus DDC: | 600 Technik, Medizin, angewandte Wissenschaften > 620 Ingenieurwissenschaften |
| Eingestellt am: | 12 Mai 2026 07:52 |
| Letzte Änderung: | 12 Mai 2026 07:52 |
| URI: | https://eref.uni-bayreuth.de/id/eprint/97053 |