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Multi-Scale Modeling of Solid Electrolyte Interface Formation in Lithium-Ion Batteries

Title data

Röder, Fridolin ; Braatz, Richard D. ; Krewer, Ulrike:
Multi-Scale Modeling of Solid Electrolyte Interface Formation in Lithium-Ion Batteries.
In: Kravanja, Zdravko ; Bogataj, Miloš (ed.): 26th European Symposium on Computer Aided Process Engineering. - Amsterdam : Elsevier , 2016 . - pp. 157-162 . - (Computer Aided Chemical Engineering ; 38 )
ISBN 978-0-444-63428-3
DOI: https://doi.org/10.1016/B978-0-444-63428-3.50031-X

Abstract in another language

This article presents a multi-scale model to simulate and analyze the formation of Solid Electrolyte Interface (SEI). A macroscopic model of battery and SEI is coupled with an atomistic kinetic Monte Carlo model for surface reactions. The developed multi-scale algorithm allows numerical simulation of key degradation mechanisms over long time and length scales. As a practical example, a full discharge process is simulated. The results show data exchange between stochastic and deterministic model as well as exemplary effects of reaction mechanisms on layer structure and battery performance. This novel approach enables simulations and detailed studies of complex SEI layer formation processes.

Further data

Item Type: Article in a book
Refereed: Yes
Institutions of the University: Faculties > Faculty of Engineering Science
Faculties
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
Faculties > Faculty of Engineering Science > Junior Professor Methods of Monitoring and Managing Batteries
Result of work at the UBT: No
DDC Subjects: 600 Technology, medicine, applied sciences > 620 Engineering
Date Deposited: 20 Nov 2020 08:33
Last Modified: 27 Nov 2020 07:34
URI: https://eref.uni-bayreuth.de/id/eprint/59662