Cahn-Hilliard Reaction Model for Isotropic Li-ion Battery Particles
Author(s)Zeng, Yi; Bazant, Martin Z.
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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).
DepartmentMassachusetts Institute of Technology. Department of Chemical Engineering; Massachusetts Institute of Technology. Department of Mathematics
Cambridge University Press/Materials Research Society
Zeng, Yi, and Martin Z. Bazant. “Cahn-Hilliard Reaction Model for Isotropic Li-Ion Battery Particles.” MRS Proceedings 1542 (2013).
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