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Local microstructure-induced fluctuations in Li-Ion battery: theory and simulations

Traskunov, Igor and Latz, Arnulf (2021) Local microstructure-induced fluctuations in Li-Ion battery: theory and simulations. MODVAL 17 (17th Symposium on Modeling and Experimental Validation of Electrochemical Energy Technologies), 20.-22. Apr. 2021, Sion, Schweiz.

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Abstract

In recent years, a microstructure-resolving theoretical framework based on non-equilibrium thermodynamics was developed that allows describing electrochemical processes in electrodes of Lithium-ion batteries. A comparison of its predictions with those of the classical porous electrode theory by Newman and coworkers reveals that the models generally agree about averaged characteristics (charge curve, etc.), albeit with small noticeable systematic shifts. At the same time, localized fluctuations in potential and ion concentration, sometimes on the order of their averaged values, show up in the microstructure theory but are absent from the Newman theory predictions. The presence of these fluctuations can modify qualitatively the porous electrode theory-based predictions about local degradation and dissipation processes (Li plating, SEI growth, heat generation). Using a combination of formal homogenization and perturbation frameworks, we show how these fluctuations can be included in a porous electrode description and analyze which factors influence the scale of fluctuations (OCV curve, particle shape, etc.). The theoretical findings are supported by numerical simulations. In the light of big computational costs of the microstructure-resolving simulations, we proposed a new Li-Ion cell model that combine accurate prediction of the localized fluctuations with the numerical efficiency of the classical Newman’s model.

Item URL in elib:https://elib.dlr.de/147753/
Document Type:Conference or Workshop Item (Speech)
Title:Local microstructure-induced fluctuations in Li-Ion battery: theory and simulations
Authors:
AuthorsInstitution or Email of AuthorsAuthor's ORCID iD
Traskunov, IgorIgor.Traskunov (at) dlr.dehttps://orcid.org/0000-0002-0320-2607
Latz, ArnulfArnulf.Latz (at) dlr.dehttps://orcid.org/0000-0003-1449-8172
Date:20 April 2021
Refereed publication:No
Open Access:No
Gold Open Access:No
In SCOPUS:No
In ISI Web of Science:No
Status:Published
Keywords:Li-Ion battery, microstructure, Newman model, porous electrode theory, local fluctuations
Event Title:MODVAL 17 (17th Symposium on Modeling and Experimental Validation of Electrochemical Energy Technologies)
Event Location:Sion, Schweiz
Event Type:international Conference
Event Dates:20.-22. Apr. 2021
HGF - Research field:Energy
HGF - Program:Materials and Technologies for the Energy Transition
HGF - Program Themes:Electrochemical Energy Storage
DLR - Research area:Energy
DLR - Program:E VS - Combustion Systems
DLR - Research theme (Project):E - Materials for Electrochemical Energy Storage, V - Energie und Verkehr
Location: Ulm
Institutes and Institutions:Institute of Engineering Thermodynamics > Computational Electrochemistry
Deposited By: Traskunov, Igor
Deposited On:23 Dec 2021 10:55
Last Modified:23 Dec 2021 10:55

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