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Thermodynamic derivation of a Butler–Volmer model forintercalation in Li-ion batteries

Latz, Arnulf and Zausch, Jochen (2013) Thermodynamic derivation of a Butler–Volmer model forintercalation in Li-ion batteries. Electrochimica Acta. Elsevier. ISSN 0013-4686 (In Press)

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Official URL: http://www.sciencedirect.com/science/article/pii/S0013468613011493

Abstract

We present an exclusively thermodynamics based derivation of a Butler–Volmer expression for the inter-calation exchange current in Li ion insertion batteries. In this first paper we restrict our investigationsto the actual intercalation step without taking into account the desolvation of the Li ions in the elec-trolyte. The derivation is based on a generalized form of the law of mass action for non ideal systems(electrolyte and active particles). To obtain the Butler–Volmer expression in terms of overpotentials, it isnecessary to approximate the activity coefficient of an assumed transition state as function of the activitycoefficients of electrolyte and active particles. Specific considerations of surface states are not necessary,since intercalation is considered as a transition between two different chemical environments withoutsurface reactions. Differences to other forms of the Butler–Volmer used in the literature [1,2] are dis-cussed. It is especially shown, that our derivation leads to an amplitude of the exchange current whichis free of singular terms which may lead to quantitative and qualitative problems in the simulation ofoverpotentials. This is demonstrated for the overpotential between electrolyte and active particles for ahalf cell configuration.

Item URL in elib:https://elib.dlr.de/85003/
Document Type:Article
Title:Thermodynamic derivation of a Butler–Volmer model forintercalation in Li-ion batteries
Authors:
AuthorsInstitution or Email of AuthorsAuthors ORCID iD
Latz, Arnulfarnulf.latz (at) dlr.deUNSPECIFIED
Zausch, JochenFraunhofer Institut für Techno- und WirtschaftsmathematikUNSPECIFIED
Date:2013
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
Publisher:Elsevier
ISSN:0013-4686
Status:In Press
Keywords:Butler Volmer Intercalation kinetics Battery simulation Law of mass action
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 > Computational Electrochemistry
Deposited By: Latz, Arnulf
Deposited On:06 Nov 2013 09:41
Last Modified:06 Sep 2019 15:16

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