A comparison of mathematical models for phase separation in high-rate LiFePO4 cathodes

Dargaville, S. & Farrell, T.W. (2013) A comparison of mathematical models for phase separation in high-rate LiFePO4 cathodes. Electrochimica Acta, 111, pp. 474-490.

View at publisher

Abstract

We construct a two-scale mathematical model for modern, high-rate LiFePO4cathodes. We attempt to validate against experimental data using two forms of the phase-field model developed recently to represent the concentration of Li+ in nano-sized LiFePO4crystals. We also compare this with the shrinking-core based model we developed previously. Validating against high-rate experimental data, in which electronic and electrolytic resistances have been reduced is an excellent test of the validity of the crystal-scale model used to represent the phase-change that may occur in LiFePO4material. We obtain poor fits with the shrinking-core based model, even with fitting based on “effective” parameter values. Surprisingly, using the more sophisticated phase-field models on the crystal-scale results in poorer fits, though a significant parameter regime could not be investigated due to numerical difficulties. Separate to the fits obtained, using phase-field based models embedded in a two-scale cathodic model results in “many-particle” effects consistent with those reported recently.

Impact and interest:

12 citations in Scopus
Search Google Scholar™
12 citations in Web of Science®

Citation counts are sourced monthly from Scopus and Web of Science® citation databases.

These databases contain citations from different subsets of available publications and different time periods and thus the citation count from each is usually different. Some works are not in either database and no count is displayed. Scopus includes citations from articles published in 1996 onwards, and Web of Science® generally from 1980 onwards.

Citations counts from the Google Scholar™ indexing service can be viewed at the linked Google Scholar™ search.

ID Code: 72196
Item Type: Journal Article
Refereed: Yes
Additional URLs:
Keywords: Cahn-Hilliard-reaction, LiFePO4, Two-scale, phase-field, shrinking-core
DOI: 10.1016/j.electacta.2013.08.014
ISSN: 1873-3859
Subjects: Australian and New Zealand Standard Research Classification > MATHEMATICAL SCIENCES (010000) > APPLIED MATHEMATICS (010200) > Applied Mathematics not elsewhere classified (010299)
Divisions: Current > Institutes > Institute for Future Environments
Current > Schools > School of Mathematical Sciences
Current > QUT Faculties and Divisions > Science & Engineering Faculty
Copyright Owner: Copyright 2013 Elsevier
Deposited On: 29 May 2014 00:26
Last Modified: 24 Jul 2015 02:45

Export: EndNote | Dublin Core | BibTeX

Repository Staff Only: item control page