elib
DLR-Header
DLR-Logo -> http://www.dlr.de
DLR Portal Home | Impressum | Datenschutz | Kontakt | English
Schriftgröße: [-] Text [+]

Modelling Solvation behaviour in highly concentrated Electrolytes

Schwetlick, Constantin und Schammer, Max und Horstmann, Birger und Latz, Arnulf (2022) Modelling Solvation behaviour in highly concentrated Electrolytes. Bunsen-Tagung 2022, 2022-09-07 - 2022-09-09, Gießen.

[img] PDF
83kB

Kurzfassung

Modelling of electrochemical systems supports designing improved chemistries for battery applications [1]. Electrolytes play an important role for the performance of batteries. As such, highly concentrated electrolytes constitute promising materials. However, due to their complexity, they are difficult to model. Here, we present a continuum transport theory for these materials, which incorporates solvation effects. Recently, Dreyer et al. [2] presented an electrolyte model which includes solvation effects. Their approach is based on modified statistics, which leads to an excess chemical potential. However, their model is limited to dilute solutions and fixes the number of solvent molecules bound to each ion. Our focus lies on the behaviour near electrified interfaces, i.e., the electrochemical double layer (EDL). To address this goal, we modify the transport theory for highly correlated electrolytes [3,4], which was recently proposed by our group. This description is based on modelling the free energy of the system. To incorporate solvation effects, we supplement it by an additional interaction energy which accounts for the correct mixing entropy due to modified statistics. The theory is based on two novel parameters – the maximum number of solvent molecules binding to a single ion, and the binding energy. We supplement our analytic discussion by numerical simulations. The results show that solvation effects have a significant influence on the EDL-structure of ILs. This work was funded by the Deutsche Forschungsgemeinschaft (DFG) under Germany´s Excellence Strategy – EXC 2154 – Project number 390874152. Literature 1. Armand, M. ; Tarascon, J.-M. Nature 2008 451, 652. 2. Dreyer, W. et al Electrochem. Comm. 2014, 43, 75-78. 3. Schammer, M. et al J. Electrochem. Soc. 2021, 168, 026511. 4. Schammer, M. et al ArXiv.org 2021 arXiv:2112.11511.

elib-URL des Eintrags:https://elib.dlr.de/192645/
Dokumentart:Konferenzbeitrag (Vortrag)
Titel:Modelling Solvation behaviour in highly concentrated Electrolytes
Autoren:
AutorenInstitution oder E-Mail-AdresseAutoren-ORCID-iDORCID Put Code
Schwetlick, Constantinconstantin.schwetlick (at) dlr.dehttps://orcid.org/0000-0002-5586-8435NICHT SPEZIFIZIERT
Schammer, MaxMax.Schammer (at) dlr.dehttps://orcid.org/0000-0002-9598-8343NICHT SPEZIFIZIERT
Horstmann, Birgerbirger.horstmann (at) dlr.dehttps://orcid.org/0000-0002-1500-0578163471671
Latz, Arnulfarnulf.latz (at) dlr.dehttps://orcid.org/0000-0003-1449-8172NICHT SPEZIFIZIERT
Datum:2022
Referierte Publikation:Ja
Open Access:Ja
Gold Open Access:Nein
In SCOPUS:Nein
In ISI Web of Science:Nein
Status:veröffentlicht
Stichwörter:ionic liquids, electrolytes, batteries, solvation
Veranstaltungstitel:Bunsen-Tagung 2022
Veranstaltungsort:Gießen
Veranstaltungsart:internationale Konferenz
Veranstaltungsbeginn:7 September 2022
Veranstaltungsende:9 September 2022
HGF - Forschungsbereich:Luftfahrt, Raumfahrt und Verkehr
HGF - Programm:Verkehr
HGF - Programmthema:Verkehrssystem
DLR - Schwerpunkt:Verkehr
DLR - Forschungsgebiet:V VS - Verkehrssystem
DLR - Teilgebiet (Projekt, Vorhaben):V - Energie und Verkehr (alt)
Standort: Ulm
Institute & Einrichtungen:Institut für Technische Thermodynamik > Computergestützte Elektrochemie
Hinterlegt von: Schammer, Max
Hinterlegt am:05 Jan 2023 14:58
Letzte Änderung:12 Jul 2024 09:44

Nur für Mitarbeiter des Archivs: Kontrollseite des Eintrags

Blättern
Suchen
Hilfe & Kontakt
Informationen
electronic library verwendet EPrints 3.3.12
Gestaltung Webseite und Datenbank: Copyright © Deutsches Zentrum für Luft- und Raumfahrt (DLR). Alle Rechte vorbehalten.