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Derivation of a Local Volume-Averaged Model and a Stable Numerical Algorithm for Simulations of Conversion Batteries

Schmitt, Tobias and Latz, Arnulf and Horstmann, Birger (2020) Derivation of a Local Volume-Averaged Model and a Stable Numerical Algorithm for Simulations of Conversion Batteries. Electrochimica Acta, 333, p. 135491. Elsevier. doi: 10.1016/j.electacta.2019.135491. ISSN 0013-4686.

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Abstract

In this article, we derive a general form of local volume-averaging theory and apply it to a model of zinc-air conversion batteries. Volume-averaging techniques are frequently used for the macroscopic description of micro-porous electrodes. We extend the existing method by including reactions between different phases and time-dependent volume fractions of the solid phases as these are continuously dissolved and reconstructed during operation of conversion batteries. We find that the constraint of incompressibility for multi-component fluids causes numerical instabilities in simulations of zinc-air battery cells. Therefore, we develop a stable sequential semi-implicit algorithm which converges against the fully implicit solution. Our method reduces the coupling of the variables by splitting the system of equations and introducing an additional iteration step.

Item URL in elib:https://elib.dlr.de/139724/
Document Type:Article
Title:Derivation of a Local Volume-Averaged Model and a Stable Numerical Algorithm for Simulations of Conversion Batteries
Authors:
AuthorsInstitution or Email of AuthorsAuthor's ORCID iD
Schmitt, TobiasTobias.Schmitt (at) dlr.dehttps://orcid.org/0000-0003-4240-679X
Latz, Arnulfarnulf.latz (at) dlr.dehttps://orcid.org/0000-0003-1449-8172
Horstmann, Birgerbirger.horstmann (at) dlr.dehttps://orcid.org/0000-0002-1500-0578
Date:2020
Journal or Publication Title:Electrochimica Acta
Refereed publication:Yes
Open Access:No
Gold Open Access:No
In SCOPUS:Yes
In ISI Web of Science:Yes
Volume:333
DOI :10.1016/j.electacta.2019.135491
Page Range:p. 135491
Publisher:Elsevier
ISSN:0013-4686
Status:Published
Keywords:Local volume-averaging theoryMulti-component incompressibility constraintSequential semi-implicit solverNumerical stability analysisZinc-air battery
HGF - Research field:Energy
HGF - Program:Storage and Cross-linked Infrastructures
HGF - Program Themes:Electrochemical Energy Storage
DLR - Research area:Energy
DLR - Program:E SP - Energy Storage
DLR - Research theme (Project):E - Electrochemical Prcesses (Batteries) (old)
Location: Ulm
Institutes and Institutions:Institute of Engineering Thermodynamics > Computational Electrochemistry
Deposited By: Horstmann, Birger
Deposited On:16 Dec 2020 21:09
Last Modified:16 Dec 2020 21:09

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