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Predicting active material utilisation in LiFePO4 electrodes using a multi-scale mathematical model

Dargaville, Steven & Farrell, Troy W. (2010) Predicting active material utilisation in LiFePO4 electrodes using a multi-scale mathematical model. Journal of The Electrochemical Society (JES), 157(7), A830-A840.

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Abstract

A mathematical model is developed to simulate the discharge of a LiFePO4 cathode. This model contains 3 size scales, which match with experimental observations present in the literature on the multi-scale nature of LiFePO4 material. A shrinking-core is used on the smallest scale to represent the phase-transition of LiFePO4 during discharge. The model is then validated against existing experimental data and this validated model is then used to investigate parameters that influence active material utilisation. Specifically the size and composition of agglomerates of LiFePO4 crystals is discussed, and we investigate and quantify the relative effects that the ionic and electronic conductivities within the oxide have on oxide utilisation. We find that agglomerates of crystals can be tolerated under low discharge rates. The role of the electrolyte in limiting (cathodic) discharge is also discussed, and we show that electrolyte transport does limit performance at high discharge rates, confirming the conclusions of recent literature.

Impact and interest:

36 citations in Scopus
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31 citations in Web of Science®

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ID Code: 34236
Item Type: Journal Article
Keywords: LiFePO4, mathematical modeling, battery, secondary batteries, multiscale mathematical modeling
DOI: 10.1149/1.3425620
ISSN: 0013-4651
Subjects: Australian and New Zealand Standard Research Classification > MATHEMATICAL SCIENCES (010000) > APPLIED MATHEMATICS (010200) > Applied Mathematics not elsewhere classified (010299)
Australian and New Zealand Standard Research Classification > CHEMICAL SCIENCE (030000) > PHYSICAL CHEMISTRY (INCL. STRUCTURAL) (030600) > Electrochemistry (030604)
Divisions: Past > QUT Faculties & Divisions > Faculty of Science and Technology
Past > Schools > Mathematical Sciences
Copyright Owner: Copyright 2010 The Electrochemical Society
Deposited On: 27 Aug 2010 10:55
Last Modified: 01 Mar 2012 00:25

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