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Structurally resolved Lattice Boltzmann simulations of battery systems

Weinmiller, Julius and Lautenschläger, Martin and Danner, Timo and Latz, Arnulf (2021) Structurally resolved Lattice Boltzmann simulations of battery systems. International Conference on Lithium-Sulfur Batteries, Online.

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Theoretical modeling and computational simulations are important approaches to gain a detailed insight into mesoscopic processes that are hard to study experimentally. Regarding lithium-sulfur batteries, several one-dimensional continuum models are published in the literature, which focus mainly on charge and discharge processes [1,2], e.g. the dissolution and precipitation of solid Li2S and S8 [3], as well as degradation mechanisms, such as the polysulfide shuttle. However, those models lack from dimension-related details such as the influence of the effect of the cell geometry and the electrolyte distribution as well as the electrolyte content [3,4]. Therefore, in our current research, a structurally resolved three-dimensional battery model is developed based on the Lattice Boltzmann method. The model will be applied to study the following aspects in the context of battery technology: (1) wetting processes during the electrolyte filling of realistic three-dimensional porous battery electrodes; (2) multi-species transport through the three-dimensional porous electrode; (3) chemical reactions such as dissolution and precipitation of species at the electrode surface. As part of the present poster, besides the methodological background, first interesting results as well as the future steps in model development will be presented. All in all, it is shown that the Lattice Boltzmann method is especially useful for understanding phenomena on the pore-scale of lithium-sulfur batteries and, thus, is a promising tool for the optimization of different aspects related to battery production, performance, and lifetime. [1] K. Kumaresan et al.; J. Electrochem. Soc., 155 (8) (2008), pp. A576 [2] M. Marinescu et al.; Phys. Chem. Chem. Phys., 18 (1) (2016), pp. 584-593 [3] T. Danner et A. Latz; Electrochim. Acta, 322 (2019), pp. 646-656 [4] T. Li et al.; Adv. Funct. Mater., 29 (32) (2019), pp. 1-56

Item URL in elib:https://elib.dlr.de/147746/
Document Type:Conference or Workshop Item (Poster)
Title:Structurally resolved Lattice Boltzmann simulations of battery systems
AuthorsInstitution or Email of AuthorsAuthor's ORCID iD
Weinmiller, Juliusjulius.weinmiller (at) dlr.deUNSPECIFIED
Lautenschläger, MartinMartin.Lautenschlaeger (at) dlr.dehttps://orcid.org/0000-0003-3266-4218
Danner, TimoTimo.Danner (at) dlr.dehttps://orcid.org/0000-0003-2336-6059
Latz, ArnulfArnulf.Latz (at) dlr.deUNSPECIFIED
Date:June 2021
Refereed publication:Yes
Open Access:No
Gold Open Access:No
In ISI Web of Science:No
Keywords:Strukturaufgelöste Batteriesimulation
Event Title:International Conference on Lithium-Sulfur Batteries
Event Location:Online
Event Type:international Conference
HGF - Research field:Energy
HGF - Program:Materials and Technologies for the Energy Transition
HGF - Program Themes:Chemical Energy Carriers
DLR - Research area:Energy
DLR - Program:E SP - Energy Storage
DLR - Research theme (Project):E - Electrochemical Processes
Location: Ulm
Institutes and Institutions:Institute of Engineering Thermodynamics > Computational Electrochemistry
Deposited By: Lautenschläger, Martin
Deposited On:23 Dec 2021 10:44
Last Modified:23 Dec 2021 10:44

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