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A Flexible Framework for Modeling Multiple Solid, Liquid and Gaseous Phases in Batteries and Fuel Cells

Neidhardt, Jonathan and Fronczek, David Norman and Jahnke, Thomas and Danner, Timo and Horstmann, Birger and Bessler, Wolfgang G. (2012) A Flexible Framework for Modeling Multiple Solid, Liquid and Gaseous Phases in Batteries and Fuel Cells. Journal of The Electrochemical Society, 159 (9), pp. 1528-1542. Electrochemical Society, Inc.. DOI: 10.1149/2.023209jes ISSN 0013-4651

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Multi-phase management is crucial for performance and durability of electrochemical cells such as batteries and fuel cells. In this paper we present a generic framework for describing the two-dimensional spatiotemporal evolution of gaseous, liquid and solid phases, as well as their interdependence with interfacial (electro-)chemistry and microstructure in a continuum description. The modeling domain consists of up to seven layers (current collectors, channels, electrodes, separator/membrane), each of which can consist of an arbitrary number of bulk phases (gas, liquid, solid) and connecting interfaces (two-phase or multi-phase boundaries). Bulk and interfacial chemistry is described using global or elementary kinetic reactions. Multi-phase management is coupled to chemistry and to mass and charge transport within bulk phases. The functionality and flexibility of this framework is demonstrated using four application areas in the context of post-lithium-ion batteries and fuel cells, that is, lithium-sulfur (Li-S) cells, lithiumoxygen (Li-O) cells, solid oxide fuel cells (SOFC) and polymer electrolyte membrane fuel cells (PEFC). The results are compared to models available in literature and properties of the generic framework are discussed.

Item URL in elib:https://elib.dlr.de/78167/
Document Type:Article
Title:A Flexible Framework for Modeling Multiple Solid, Liquid and Gaseous Phases in Batteries and Fuel Cells
AuthorsInstitution or Email of AuthorsAuthors ORCID iD
Neidhardt, JonathanJonathan.Neidhardt (at) dlr.deUNSPECIFIED
Fronczek, David Normandavid.fronczek (at) dlr.deUNSPECIFIED
Jahnke, Thomasthomas.jahnke (at) dlr.deUNSPECIFIED
Danner, Timotimo.danner (at) dlr.deUNSPECIFIED
Horstmann, Birgerbirger.horstmann (at) dlr.deUNSPECIFIED
Bessler, Wolfgang G.wolfgang.bessler (at) dlr.deUNSPECIFIED
Date:14 August 2012
Journal or Publication Title:Journal of The Electrochemical Society
Refereed publication:Yes
Open Access:No
Gold Open Access:No
In ISI Web of Science:Yes
DOI :10.1149/2.023209jes
Page Range:pp. 1528-1542
Publisher:Electrochemical Society, Inc.
Keywords:Phase management, water management, modeling, simulation, lithium-sulfur (Li-S), lithium-oxygen (Li-O), solid oxide fuel cell (SOFC), polymer electrolyte membrane fuel cell (PEFC)
HGF - Research field:Energy
HGF - Program:Efficient Energy Conversion and Use (old)
HGF - Program Themes:Fuel Cells (old)
DLR - Research area:Energy
DLR - Program:E EV - Energy process technology
DLR - Research theme (Project):E - Elektrochemische Prozesse (old)
Location: Stuttgart
Institutes and Institutions:Institute of Engineering Thermodynamics > Electrochemical Energy Technology
Deposited By: Neidhardt, Jonathan
Deposited On:05 Nov 2012 15:34
Last Modified:08 Mar 2018 18:45

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