Modeling electrode heterogeneity in lithium-ion batteries: unimodal and bimodal particle-size distributions

DOI10.1137/20M1344305SzbMATH Open1487.78018arXiv2006.12208OpenAlexW4224100940MaRDI QIDQ5073743FDOQ5073743

Authors: Toby L. Kirk, Jack Evans, C. P. Please, S. Jonathan Chapman 

Publication date: 3 May 2022

Published in: SIAM Journal on Applied Mathematics (Search for Journal in Brave)

Abstract: In mathematical models of lithium-ion batteries, the highly heterogeneous porous electrodes are frequently approximated as comprising spherical particles of uniform size, leading to the commonly-used single-particle model (SPM) when transport in the electrolyte is assumed to be fast. Here electrode heterogeneity is modelled by extending this to a distribution of particle sizes. Unimodal and bimodal particle-size distributions (PSD) are considered. For a unimodal PSD, the effect of the spread of the distribution on the cell dynamics is investigated, and choice of effective particle radius when approximating by an SPM assessed. Asymptotic techniques are used to derive a correction to the SPM valid for narrow, but realistic, PSDs. In addition, it is shown that the heterogeneous internal states of all particles (relevant when modelling degradation, for example) can be efficiently computed after-the-fact. For a bimodal PSD, the results are well approximated by a double-particle model (DPM), with one size representing each mode. Results for lithium iron phosphate with a bimodal PSD show that the DPM captures an experimentally-observed double-plateau in the discharge curve, suggesting it is entirely due to bimodality.

Full work available at URL: https://arxiv.org/abs/2006.12208

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zbMATH Keywords

asymptotic analysiselectrochemistryintercalation reactionmany-particle model

Mathematics Subject Classification ID

Asymptotic behavior of solutions to PDEs (35B40) Perturbations in context of PDEs (35B20) Asymptotics of solutions to integral equations (45M05) Electrochemistry (78A57)

Cites Work

• Multiscale modelling and analysis of lithium-ion battery charge and discharge

Cited In (4)

• Effect of cycling rate, particle size and transport properties on lithium-ion cathode performance
• Phase-field study of electrochemical reactions at exterior and interior interfaces in Li-ion battery electrode particles
• Deterministic and stochastic analysis of the lithiation/delithiation dynamics of a cathode nanoparticle
• A thermo-chemo-mechanically coupled model for cathode particles in lithium-ion batteries

Uses Software

• PyBaMM

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