Ge, R. orcid.org/0000-0003-2428-504X, Boyce, A.M. orcid.org/0000-0002-8164-1808, Shui Zhang, Y. et al. (3 more authors) (2023) Discrete element method and electrochemical modelling of lithium ion cathode structures characterised by X-ray computed tomography. Chemical Engineering Journal, 465. 142749. ISSN 1385-8947
Abstract
Electrode microstructure can profoundly affect the performance of lithium-ion batteries. In this work, the effect of the calendering process on electrode microstructures is investigated using the Discrete Element Method (DEM) with a bonded particle model. A comprehensive evaluation between realistic electrode structures and idealised DEM structures as characterised using X-ray computed tomography (XCT) is presented. The electrode structural and transport properties of tomography scans and DEM structures, i.e. porosity distribution, specific surface area and tortuosity factors are studied. Following consideration of the carbon binder domain (CBD) phase, electrochemical analysis is further performed. Excellent agreement between tomography and idealised structures from DEM simulations is achieved, taking into account the effect of calendering. With electrode compression battery performance is improved after calendering. This study provides a basis for using DEM and electrochemical analysis to quantitatively evaluate the battery performance in future.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | © 2023 Elsevier B.V. This is an author produced version of a paper subsequently published in Chemical Engineering Journal. Uploaded in accordance with the publisher's self-archiving policy. Article available under the terms of the CC-BY-NC-ND licence (https://creativecommons.org/licenses/by-nc-nd/4.0/). |
Keywords: | Discrete element method; Lithium-ion battery; Calendering; X-ray computed tomography; Electrochemical analysis |
Dates: |
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Institution: | The University of Sheffield |
Academic Units: | The University of Sheffield > Faculty of Engineering (Sheffield) > Department of Chemical and Biological Engineering (Sheffield) |
Funding Information: | Funder Grant number THE FARADAY INSTITUTION FITG028-C |
Depositing User: | Symplectic Sheffield |
Date Deposited: | 06 Mar 2024 13:02 |
Last Modified: | 06 Mar 2024 16:05 |
Status: | Published |
Publisher: | Elsevier BV |
Refereed: | Yes |
Identification Number: | 10.1016/j.cej.2023.142749 |
Related URLs: | |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:209968 |
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