Comparative Analysis via CFD Simulation on the Impact of Graphite Anode Morphologies on the Discharge of a Lithium-Ion Battery

The morphology of electrode materials plays a crucial role in determining the performance of lithium-ion batteries. Traditional computational models often simplify graphite flakes as uniformly sized spheres, which limits their predictive accuracy. In this study, we present a computational workflow t...

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Main Authors: Alessio Lombardo Pontillo, Agnese Marcato, Daniele Versaci, Daniele Marchisio, Gianluca Boccardo
Format: Article
Language:English
Published: MDPI AG 2025-07-01
Series:Batteries
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Online Access:https://www.mdpi.com/2313-0105/11/7/252
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author Alessio Lombardo Pontillo
Agnese Marcato
Daniele Versaci
Daniele Marchisio
Gianluca Boccardo
author_facet Alessio Lombardo Pontillo
Agnese Marcato
Daniele Versaci
Daniele Marchisio
Gianluca Boccardo
author_sort Alessio Lombardo Pontillo
collection DOAJ
description The morphology of electrode materials plays a crucial role in determining the performance of lithium-ion batteries. Traditional computational models often simplify graphite flakes as uniformly sized spheres, which limits their predictive accuracy. In this study, we present a computational workflow that overcomes these limitations by incorporating a more realistic representation of graphite morphologies. This workflow is designed to be flexible and reproducible, enabling efficient evaluation of electrochemical performance across diverse material structures. By exploring different graphite morphologies, our approach accelerates the optimization of material preparation techniques and processing conditions. Our findings reveal that incorporating greater morphological complexity leads to significant deviations from classical model predictions. Instead, our refined model offers a more accurate representation of battery discharge behavior, closely aligning with experimental data. This improvement underscores the importance of detailed morphological descriptions in advancing battery design and performance assessments. To promote accessibility and reproducibility, we provide the developed code for seamless integration with the COMSOL API, allowing researchers to implement and adapt it easily. This computational framework serves as a valuable tool for investigating the impact of graphite morphology on battery performance, bridging the gap between theoretical modeling and experimental validation to enhance lithium-ion battery technology.
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institution Kabale University
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spelling doaj-art-5125ccc28de04a5eb58df6197f2465de2025-08-20T03:58:31ZengMDPI AGBatteries2313-01052025-07-0111725210.3390/batteries11070252Comparative Analysis via CFD Simulation on the Impact of Graphite Anode Morphologies on the Discharge of a Lithium-Ion BatteryAlessio Lombardo Pontillo0Agnese Marcato1Daniele Versaci2Daniele Marchisio3Gianluca Boccardo4Department of Applied Science and Technology, Politecnico di Torino, Corso Duca degli Abruzzi 24, 10129 Torino, ItalyDepartment of Applied Science and Technology, Politecnico di Torino, Corso Duca degli Abruzzi 24, 10129 Torino, ItalyDepartment of Applied Science and Technology, Politecnico di Torino, Corso Duca degli Abruzzi 24, 10129 Torino, ItalyDepartment of Applied Science and Technology, Politecnico di Torino, Corso Duca degli Abruzzi 24, 10129 Torino, ItalyDepartment of Applied Science and Technology, Politecnico di Torino, Corso Duca degli Abruzzi 24, 10129 Torino, ItalyThe morphology of electrode materials plays a crucial role in determining the performance of lithium-ion batteries. Traditional computational models often simplify graphite flakes as uniformly sized spheres, which limits their predictive accuracy. In this study, we present a computational workflow that overcomes these limitations by incorporating a more realistic representation of graphite morphologies. This workflow is designed to be flexible and reproducible, enabling efficient evaluation of electrochemical performance across diverse material structures. By exploring different graphite morphologies, our approach accelerates the optimization of material preparation techniques and processing conditions. Our findings reveal that incorporating greater morphological complexity leads to significant deviations from classical model predictions. Instead, our refined model offers a more accurate representation of battery discharge behavior, closely aligning with experimental data. This improvement underscores the importance of detailed morphological descriptions in advancing battery design and performance assessments. To promote accessibility and reproducibility, we provide the developed code for seamless integration with the COMSOL API, allowing researchers to implement and adapt it easily. This computational framework serves as a valuable tool for investigating the impact of graphite morphology on battery performance, bridging the gap between theoretical modeling and experimental validation to enhance lithium-ion battery technology.https://www.mdpi.com/2313-0105/11/7/252battery modelinglithium-ion batteriesCFDelectrode morphologiesCOMSOL
spellingShingle Alessio Lombardo Pontillo
Agnese Marcato
Daniele Versaci
Daniele Marchisio
Gianluca Boccardo
Comparative Analysis via CFD Simulation on the Impact of Graphite Anode Morphologies on the Discharge of a Lithium-Ion Battery
Batteries
battery modeling
lithium-ion batteries
CFD
electrode morphologies
COMSOL
title Comparative Analysis via CFD Simulation on the Impact of Graphite Anode Morphologies on the Discharge of a Lithium-Ion Battery
title_full Comparative Analysis via CFD Simulation on the Impact of Graphite Anode Morphologies on the Discharge of a Lithium-Ion Battery
title_fullStr Comparative Analysis via CFD Simulation on the Impact of Graphite Anode Morphologies on the Discharge of a Lithium-Ion Battery
title_full_unstemmed Comparative Analysis via CFD Simulation on the Impact of Graphite Anode Morphologies on the Discharge of a Lithium-Ion Battery
title_short Comparative Analysis via CFD Simulation on the Impact of Graphite Anode Morphologies on the Discharge of a Lithium-Ion Battery
title_sort comparative analysis via cfd simulation on the impact of graphite anode morphologies on the discharge of a lithium ion battery
topic battery modeling
lithium-ion batteries
CFD
electrode morphologies
COMSOL
url https://www.mdpi.com/2313-0105/11/7/252
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