Cahn-Hilliard Reaction Model for Isotropic Li-ion Battery Particles
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 b...
| Main Authors: | , |
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| Other Authors: | |
| Format: | Article |
| Language: | en_US |
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Cambridge University Press/Materials Research Society
2014
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| Online Access: | http://hdl.handle.net/1721.1/91228 |
| _version_ | 1826198522710458368 |
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| author | Zeng, Yi Bazant, Martin Z. |
| author2 | Massachusetts Institute of Technology. Department of Chemical Engineering |
| author_facet | Massachusetts Institute of Technology. Department of Chemical Engineering Zeng, Yi Bazant, Martin Z. |
| author_sort | Zeng, Yi |
| collection | MIT |
| description | 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). |
| first_indexed | 2024-09-23T11:06:11Z |
| format | Article |
| id | mit-1721.1/91228 |
| institution | Massachusetts Institute of Technology |
| language | en_US |
| last_indexed | 2024-09-23T11:06:11Z |
| publishDate | 2014 |
| publisher | Cambridge University Press/Materials Research Society |
| record_format | dspace |
| spelling | mit-1721.1/912282022-10-01T01:13:10Z Cahn-Hilliard Reaction Model for Isotropic Li-ion Battery Particles Zeng, Yi Bazant, Martin Z. Massachusetts Institute of Technology. Department of Chemical Engineering Massachusetts Institute of Technology. Department of Mathematics Zeng, Yi Bazant, Martin Z. 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). National Science Foundation (U.S.) (Graduate Research Fellowship Program under Grant No. 1122374) Samsung (Firm) (Samsung-MIT Alliance) 2014-10-29T19:00:50Z 2014-10-29T19:00:50Z 2013-06 Article http://purl.org/eprint/type/JournalArticle 1946-4274 http://hdl.handle.net/1721.1/91228 Zeng, Yi, and Martin Z. Bazant. “Cahn-Hilliard Reaction Model for Isotropic Li-Ion Battery Particles.” MRS Proceedings 1542 (2013). en_US http://dx.doi.org/10.1557/opl.2013.740 MRS Proceedings Creative Commons Attribution-Noncommercial-Share Alike http://creativecommons.org/licenses/by-nc-sa/4.0/ application/pdf Cambridge University Press/Materials Research Society MIT web domain |
| spellingShingle | Zeng, Yi Bazant, Martin Z. Cahn-Hilliard Reaction Model for Isotropic Li-ion Battery Particles |
| title | Cahn-Hilliard Reaction Model for Isotropic Li-ion Battery Particles |
| title_full | Cahn-Hilliard Reaction Model for Isotropic Li-ion Battery Particles |
| title_fullStr | Cahn-Hilliard Reaction Model for Isotropic Li-ion Battery Particles |
| title_full_unstemmed | Cahn-Hilliard Reaction Model for Isotropic Li-ion Battery Particles |
| title_short | Cahn-Hilliard Reaction Model for Isotropic Li-ion Battery Particles |
| title_sort | cahn hilliard reaction model for isotropic li ion battery particles |
| url | http://hdl.handle.net/1721.1/91228 |
| work_keys_str_mv | AT zengyi cahnhilliardreactionmodelforisotropicliionbatteryparticles AT bazantmartinz cahnhilliardreactionmodelforisotropicliionbatteryparticles |