Cahn-Hilliard Reaction Model for Isotropic Li-ion Battery Particles
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Bazant_Cahn-Hilliard.pdf
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Author(s)
Zeng, Yi
Bazant, Martin Z.
Date Issued
June 2013
Journal
MRS Proceedings
Publisher
Cambridge University Press/Materials Research Society
Citation
Zeng, Yi, and Martin Z. Bazant. “Cahn-Hilliard Reaction Model for Isotropic Li-Ion Battery Particles.” MRS Proceedings 1542 (2013).
Version
Author's final manuscript
Abstract
Using the recently developed Cahn-Hilliard reaction (CHR) theory, we present a simple mathematical model of the transition from solid-solution radial diffusion to two-phase shrinking-core dynamics during ion intercalation in a spherical solid particle. This general approach extends previous Li-ion battery models, which either neglect phase separation or postulate a spherical shrinking-core phase boundary under all conditions, by predicting phase separation only under appropriate circumstances. The effect of the applied current is captured by generalized Butler-Volmer kinetics, formulated in terms of the diffusional chemical potential in the CHR theory. We also consider the effect of surface wetting or de-wetting by intercalated ions, which can lead to shrinking core phenomena with three distinct phase regions. The basic physics are illustrated by different cases, including a simple model of lithium iron phosphate (neglecting crystal anisotropy and coherency strain).
MIT Department
Massachusetts Institute of Technology. Department of Chemical Engineering
Massachusetts Institute of Technology. Department of Mathematics
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Creative Commons Attribution-Noncommercial-Share Alike
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DOI of Published Version
https://doi.org/10.1557/opl.2013.740
