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Lithium/sulfur batteries: global and elementary modeling approaches

Fronczek, David Norman and Bessler, Wolfgang Georg (2012) Lithium/sulfur batteries: global and elementary modeling approaches. 9th Symposium on Fuel Cell and Battery Modeling and Experimental Validation (ModVal 9), 2-4 Apr 2012, Sursee, Switzerland.

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Official URL: http://modval9.psi.ch/


The lithium/sulfur (Li/S) battery is a promising system for energy storage. Its energy density (up to 2.6 kWh/kg) is the highest of all “closed-system” batteries known [1]. The global reaction of this type of cell is S8 + 16 Li ⇄ 8 Li2S, yielding 3400 kJ/mol and a open-circuit voltage of ~2.2 V. However, due to the complex redox chemistry of sulfur, numerous soluble intermediate species are formed during discharge, including S8, S82−, S62−, S42−, S22− and S2−. The large number and different properties of those intermediates represent a major challenge in understanding Li/S electrochemistry. A computational model of the Li/S cell is presented, including elementary kinetics, evolution of solid phases as well as mass and charge transport. Implemented reaction mechanisms include a global model, a semi-elementary model according to Kumaresan et al. [2] as well as a more detailed model with surface states and a total of almost 20 elementary reaction steps. The charge and discharge processes involve the dissolution and precipitation as well as the chemical transformation of phases in the cell’s electrodes [3]. The model is implemented in the in-house software DENIS [4]. We present simulated charge and discharge curves, concentration profiles and electrochemical impedance spectra. A typical discharge curve with phase behavior is shown in Fig. 1. The model is used to increase our understanding of the Li/S cell. References: 1. B. Scrosati, J. Garche, J. Power Sources, 195 (2010), 9, 2419–2430 2. K. Kumaresan, Y. Mikhaylik and R. E. White, J. Electrochem. Soc., 155 (2008), 8, A576–A582 3. J. P. Neidhardt, D. N. Fronczek, T. Jahnke, T. Danner, B. Horstmann, W. G. Bessler, J. Electrochem. Soc., in press (2012) 4. W. G. Bessler, S. Gewies and M. Vogler, Electrochim. Acta, 53 (2007), 4, 1782–1800

Item URL in elib:https://elib.dlr.de/76184/
Document Type:Conference or Workshop Item (Speech)
Title:Lithium/sulfur batteries: global and elementary modeling approaches
AuthorsInstitution or Email of AuthorsAuthors ORCID iD
Fronczek, David Normandavid.fronczek (at) dlr.deUNSPECIFIED
Bessler, Wolfgang Georgwolfgang.bessler (at) dlr.deUNSPECIFIED
Date:3 April 2012
Refereed publication:No
Open Access:Yes
Gold Open Access:No
In ISI Web of Science:No
Series Name:Symposium on Fuel Cell and Battery Modeling and Experimental Validation
Keywords:Modellierung; modeling; lithium-sulfur battery; Lithium-Schwefel Batterie; Simulation
Event Title:9th Symposium on Fuel Cell and Battery Modeling and Experimental Validation (ModVal 9)
Event Location:Sursee, Switzerland
Event Type:international Conference
Event Dates:2-4 Apr 2012
Organizer:Paul Scherrer Institut (PSI)
HGF - Research field:Energy
HGF - Program:Efficient Energy Conversion (old)
HGF - Program Themes:E EV - Energy process technology (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: Fronczek, David N.
Deposited On:17 Jul 2012 09:29
Last Modified:31 Jul 2019 19:36

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