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.

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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.

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13 citations in Scopus
12 citations in Web of Science®
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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 > QUT Faculties and Divisions > Science & Engineering Faculty
Copyright Owner: Copyright 2013 Elsevier
Deposited On: 29 May 2014 00:26
Last Modified: 21 Jun 2017 13:01

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