• search hit 5 of 368
Back to Result List

Modeling and simulation of the thermodynamics of lithium-ion battery intercalation materials in the open-source software Cantera

  • Modeling and simulation play a key role in analyzing the complex electrochemical behavior of lithium-ion batteries. We present the development of a thermodynamic and kinetic modeling framework for intercalation electrochemistry within the open-source software Cantera. Instead of using equilibrium potentials and single-step Butler-Volmer kinetics, Cantera is based on molar thermodynamic data andModeling and simulation play a key role in analyzing the complex electrochemical behavior of lithium-ion batteries. We present the development of a thermodynamic and kinetic modeling framework for intercalation electrochemistry within the open-source software Cantera. Instead of using equilibrium potentials and single-step Butler-Volmer kinetics, Cantera is based on molar thermodynamic data and mass-action kinetics, providing a physically-based and flexible means for complex reaction pathways. Herein, we introduce a new thermodynamic class for intercalation materials into the open-source software. We discuss the derivation of molar thermodynamic data from experimental half-cell potentials, and provide practical guidelines. We then demonstrate the new class using a single-particle model of a lithium cobalt oxide/graphite lithium-ion cell, implemented in MATLAB. With the present extensions, Cantera provides a platform for the lithium-ion battery modeling community both for consistent thermodynamic and kinetic models and for exchanging the required thermodynamic and kinetic parameters. We provide the full MATLAB code and parameter files as supplementary material to this article.show moreshow less

Export metadata

Additional Services

Share in Twitter Search Google Scholar
Metadaten
Author:Manik MayurORCiD, Steven C. DeCaluwe, Benjamin L. Kee, Wolfgang G. BesslerORCiDGND
Publisher:Elsevier Limited
Year of Publication:2019
Language:English
Tag:Cantera; Intercalation thermodynamics; Lithium-ion battery; Single-particle model
Parent Title (English):Electrochimica Acta
Issue:323
ISSN:1873-3859
First Page:134797
Last Page:134797
Document Type:Article (reviewed)
Institutes:Hochschule Offenburg / Bibliografie
Release Date:2020/01/17
Licence (German):License LogoEs gilt das UrhG
URL:https://www.sciencedirect.com/science/article/pii/S0013468619316688?via%3Dihub
DOI:https://doi.org/10.1016/j.electacta.2019.134797