Performance benchmarks for open source porous electrode theory models.

Autor: Ayalasomayajula SM; School of Material Engineering, Purdue University, West Lafayette, IN, 47906, United States of America., Cogswell D; Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, MA, 02139, United States of America., Zhuang D; Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, MA, 02139, United States of America., García RE; School of Material Engineering, Purdue University, West Lafayette, IN, 47906, United States of America.
Jazyk: angličtina
Zdroj: Heliyon [Heliyon] 2024 Mar 20; Vol. 10 (7), pp. e27830. Date of Electronic Publication: 2024 Mar 20 (Print Publication: 2024).
DOI: 10.1016/j.heliyon.2024.e27830
Abstrakt: The electrochemical response characteristics of existing and emerging porous electrode theory (PET) models was benchmarked to establish a common basis to assess their physical reaches, limitations, and accuracy. Three open source PET models: dualfoil, MPET, and LIONSIMBA were compared to simulate the discharge of a LiMn 2 O 4 -graphite cell against experimental data. For C-rates below 2C, the simulated discharge voltage curves matched the experimental data within 4% deviation for dualfoil, MPET, and LIONSIMBA, while for C-rates above 3C, dualfoil and MPET show smaller deviations, within 5%, against experiments. The electrochemical profiles of all three codes exhibit significant qualitative differences, despite showing the same macroscopic voltage response, leading the user to different conclusions regarding the battery performance and possible degradation mechanisms of the analyzed system.
Competing Interests: The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.
(© 2024 The Author(s).)
Databáze: MEDLINE
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