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Refined modeling of effective agglomerate surface area for enhanced PEMFC degradation analysis

Refined modeling of effective agglomerate surface area for enhanced PEMFC degradation analysis
Refined modeling of effective agglomerate surface area for enhanced PEMFC degradation analysis
Understanding the degradation phenomena of proton exchange membrane fuel cells (PEMFC) is essential for their durability. Numerical simulation offers a powerful tool for analyzing and refining PEMFC design and operation. However, the computational demands of such simulations, particularly in assessing catalyst layer (CL) degradation of PEMFC under dynamic operating conditions, pose significant challenges. This study addresses these challenges by developing a multiobjective optimization algorithm (MOA) coupled with a model function capable of assessing cathode CL degradation to simulate the PEMFC dynamic behaviors based on durability test data. In the initial modeling phase, cathode CL properties were identified using a genetic algorithm to establish an extended model function describing the decay of effective agglomerate surface area profile over time. This function was subsequently incorporated into the MOA to validate its effectiveness in simulating PEMFC degradation performances via an electrochemical model. To further optimize computational efficiency, Gaussian process regression was employed to surrogate the electrochemical model and integrated with the MOA based on the limited size of real-world data. The integrated model produced both the effective agglomerate surface area profile and voltage signals for sustained PEMFC operation, achieving root-mean-square errors of less than 0.009 V with a simulation time of approximately 1 min. These findings underscore the central role of effective agglomerate surface area profile in intelligently interpreting the complex decay patterns of CL during PEMFC operation. This approach represents a substantial advancement in monitoring and forecasting of PEMFC degradation through the implementation of extended model functions in numerical simulations.
Catalysts, Degradation, Electrochemical engineering, Electrodes, Fuel cells
0887-0624
4820-4835
Li, Zhejun
ab84102c-2025-4d8b-9837-bbf52c20a9c3
Mao, Qing
00ff4c15-9686-4c3a-813f-7d81d939a978
Chong, Jeng Yi
2f9ead94-86f2-4e20-9e67-75f10759555b
Ding, Zhenrun
7e32a1fd-081c-4a5e-884d-0c7c4b572341
Wu, Haixu
ab5d97e2-e340-4b61-be6f-685c34c60859
Zhang, Ping
0644a222-8d74-4a3d-a4e3-a8eb4b30a98f
Li, Zhejun
ab84102c-2025-4d8b-9837-bbf52c20a9c3
Mao, Qing
00ff4c15-9686-4c3a-813f-7d81d939a978
Chong, Jeng Yi
2f9ead94-86f2-4e20-9e67-75f10759555b
Ding, Zhenrun
7e32a1fd-081c-4a5e-884d-0c7c4b572341
Wu, Haixu
ab5d97e2-e340-4b61-be6f-685c34c60859
Zhang, Ping
0644a222-8d74-4a3d-a4e3-a8eb4b30a98f

Li, Zhejun, Mao, Qing, Chong, Jeng Yi, Ding, Zhenrun, Wu, Haixu and Zhang, Ping (2026) Refined modeling of effective agglomerate surface area for enhanced PEMFC degradation analysis. Energy & Fuels, 40 (9), 4820-4835. (doi:10.1021/acs.energyfuels.5c05765).

Record type: Article

Abstract

Understanding the degradation phenomena of proton exchange membrane fuel cells (PEMFC) is essential for their durability. Numerical simulation offers a powerful tool for analyzing and refining PEMFC design and operation. However, the computational demands of such simulations, particularly in assessing catalyst layer (CL) degradation of PEMFC under dynamic operating conditions, pose significant challenges. This study addresses these challenges by developing a multiobjective optimization algorithm (MOA) coupled with a model function capable of assessing cathode CL degradation to simulate the PEMFC dynamic behaviors based on durability test data. In the initial modeling phase, cathode CL properties were identified using a genetic algorithm to establish an extended model function describing the decay of effective agglomerate surface area profile over time. This function was subsequently incorporated into the MOA to validate its effectiveness in simulating PEMFC degradation performances via an electrochemical model. To further optimize computational efficiency, Gaussian process regression was employed to surrogate the electrochemical model and integrated with the MOA based on the limited size of real-world data. The integrated model produced both the effective agglomerate surface area profile and voltage signals for sustained PEMFC operation, achieving root-mean-square errors of less than 0.009 V with a simulation time of approximately 1 min. These findings underscore the central role of effective agglomerate surface area profile in intelligently interpreting the complex decay patterns of CL during PEMFC operation. This approach represents a substantial advancement in monitoring and forecasting of PEMFC degradation through the implementation of extended model functions in numerical simulations.

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Manusript__energyfuel_12Feb2026 - Accepted Manuscript
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Accepted/In Press date: 13 February 2026
e-pub ahead of print date: 19 February 2026
Published date: 5 March 2026
Keywords: Catalysts, Degradation, Electrochemical engineering, Electrodes, Fuel cells

Identifiers

Local EPrints ID: 510732
URI: http://eprints.soton.ac.uk/id/eprint/510732
ISSN: 0887-0624
PURE UUID: 98bebd4b-767b-452a-b1f4-b131272e96fc
ORCID for Jeng Yi Chong: ORCID iD orcid.org/0000-0002-0593-6313

Catalogue record

Date deposited: 20 Apr 2026 16:44
Last modified: 21 Apr 2026 02:10

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Contributors

Author: Zhejun Li
Author: Qing Mao
Author: Jeng Yi Chong ORCID iD
Author: Zhenrun Ding
Author: Haixu Wu
Author: Ping Zhang

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