Hybrid-MPET: An Open-Source Simulation Software for Hybrid Electrode Batteries
Name
Liang_2023_J._Electrochem._Soc._170_093510.pdf
Description
Published version
Size
3.1 MB
Format
Adobe PDF
Checksum (MD5)
2cb8f1e2095818eb4e49d78f65629eb5
Author(s)
Liang, Qiaohao
Bazant, Martin Z
Date Issued
September 1, 2023
Journal
Journal of The Electrochemical Society
Publisher
The Electrochemical Society
Citation
Qiaohao Liang and Martin Z. Bazant 2023 J. Electrochem. Soc. 170 093510
Version
Final published version
Abstract
As the design of single-component battery electrodes has matured, the battery industry has turned to hybrid electrodes with blends of two or more active materials to enhance battery performance. Leveraging the best properties of each material while mitigating their drawbacks, multi-component hybrid electrodes open a vast new design space that could be most efficiently explored through simulations. In this article, we introduce a mathematical modeling framework and open-source battery simulation software package for Hybrid Multiphase Porous Electrode Theory (Hybrid-MPET), capable of accounting for the parallel reactions, phase transformations and multiscale heterogeneities in hybrid porous electrodes. Hybrid-MPET models can simulate both solid solution and multiphase active materials in hybrid electrodes at intra-particle and inter-particle scales. Its modular design also allows the combination of different active materials at any capacity fraction. To illustrate the novel features of Hybrid-MPET, we present experimentally validated models of silicon-graphite (Si-Gr) anodes used in electric vehicle batteries and carbon monofluoride (CFx) - silver vanadium oxide (SVO) cathodes used in implantable medical device batteries. The results demonstrate the potential of Hybrid-MPET models to accelerate the development of hybrid electrode batteries by providing fast predictions of their performance over a wide range of design parameters and operating protocols.
MIT Department
Massachusetts Institute of Technology. Department of Materials Science and Engineering
Massachusetts Institute of Technology. Department of Chemical Engineering
Massachusetts Institute of Technology. Department of Mathematics
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Creative Commons Attribution
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DOI of Published Version
https://doi.org/10.1149/1945-7111/acf47f
