Elucidating Parasitic Currents in Proton‐Exchange‐Membrane Electrolytic Cells via Physics‐Based and Data‐Driven Modeling

ABSTRACT Proton‐exchange membrane (PEM) water electrolysis is pivotal for green hydrogen production, necessitating accurate predictive models to manage their non‐linearities and expedite commercial deployment. Understanding degradation mechanisms through macro‐scale modeling and uncertainty quantifi...

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Main Authors: Violeta Karyofylli, K. Ashoke Raman, Linus Hammacher, Yannik Danner, Hans Kungl, André Karl, Eva Jodat, Rüdiger‐A. Eichel
Format: Article
Language:English
Published: Wiley-VCH 2025-06-01
Series:Electrochemical Science Advances
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Online Access:https://doi.org/10.1002/elsa.70000
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author Violeta Karyofylli
K. Ashoke Raman
Linus Hammacher
Yannik Danner
Hans Kungl
André Karl
Eva Jodat
Rüdiger‐A. Eichel
author_facet Violeta Karyofylli
K. Ashoke Raman
Linus Hammacher
Yannik Danner
Hans Kungl
André Karl
Eva Jodat
Rüdiger‐A. Eichel
author_sort Violeta Karyofylli
collection DOAJ
description ABSTRACT Proton‐exchange membrane (PEM) water electrolysis is pivotal for green hydrogen production, necessitating accurate predictive models to manage their non‐linearities and expedite commercial deployment. Understanding degradation mechanisms through macro‐scale modeling and uncertainty quantification (UQ) is crucial for advancing this technology via efficiency enhancement and lifetime extension. This study primarily utilizes a one‐dimensional physics‐based model to elucidate the presence of electron transport within the PEM, another degradation phenomenon, besides gas crossover. This work also applies a machine learning (ML) algorithm, such as eXtreme Gradient Boosting (XGBoost), to model PEM electrolytic cell (PEMEC) operation based on a dataset generated from the previously mentioned physics‐based model. The ML model excels in predicting the polarization behavior. Based on this surrogate model, UQ and sensitivity analysis are finally employed to enlighten the dependence of PEMECs performance and Faradaic efficiency on the effective electronic conductivity of PEM, especially when electronic pathways exist within the membrane and operating at low current densities.
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institution Kabale University
issn 2698-5977
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publisher Wiley-VCH
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series Electrochemical Science Advances
spelling doaj-art-b158cbf66759464db8ba2cea4419b6fe2025-08-20T03:50:17ZengWiley-VCHElectrochemical Science Advances2698-59772025-06-0153n/an/a10.1002/elsa.70000Elucidating Parasitic Currents in Proton‐Exchange‐Membrane Electrolytic Cells via Physics‐Based and Data‐Driven ModelingVioleta Karyofylli0K. Ashoke Raman1Linus Hammacher2Yannik Danner3Hans Kungl4André Karl5Eva Jodat6Rüdiger‐A. Eichel7Institute of Energy Technologies Fundamental Electrochemistry (IET‐1) Forschungszentrum Jülich GmbH Jülich GermanyInstitute of Energy Technologies Fundamental Electrochemistry (IET‐1) Forschungszentrum Jülich GmbH Jülich GermanyInstitute of Energy Technologies Fundamental Electrochemistry (IET‐1) Forschungszentrum Jülich GmbH Jülich GermanyInstitute of Energy Technologies Fundamental Electrochemistry (IET‐1) Forschungszentrum Jülich GmbH Jülich GermanyInstitute of Energy Technologies Fundamental Electrochemistry (IET‐1) Forschungszentrum Jülich GmbH Jülich GermanyInstitute of Energy Technologies Fundamental Electrochemistry (IET‐1) Forschungszentrum Jülich GmbH Jülich GermanyInstitute of Energy Technologies Fundamental Electrochemistry (IET‐1) Forschungszentrum Jülich GmbH Jülich GermanyInstitute of Energy Technologies Fundamental Electrochemistry (IET‐1) Forschungszentrum Jülich GmbH Jülich GermanyABSTRACT Proton‐exchange membrane (PEM) water electrolysis is pivotal for green hydrogen production, necessitating accurate predictive models to manage their non‐linearities and expedite commercial deployment. Understanding degradation mechanisms through macro‐scale modeling and uncertainty quantification (UQ) is crucial for advancing this technology via efficiency enhancement and lifetime extension. This study primarily utilizes a one‐dimensional physics‐based model to elucidate the presence of electron transport within the PEM, another degradation phenomenon, besides gas crossover. This work also applies a machine learning (ML) algorithm, such as eXtreme Gradient Boosting (XGBoost), to model PEM electrolytic cell (PEMEC) operation based on a dataset generated from the previously mentioned physics‐based model. The ML model excels in predicting the polarization behavior. Based on this surrogate model, UQ and sensitivity analysis are finally employed to enlighten the dependence of PEMECs performance and Faradaic efficiency on the effective electronic conductivity of PEM, especially when electronic pathways exist within the membrane and operating at low current densities.https://doi.org/10.1002/elsa.70000data‐drivendegradationmodelingparasitic currentphysics‐basedproton‐exchange membrane
spellingShingle Violeta Karyofylli
K. Ashoke Raman
Linus Hammacher
Yannik Danner
Hans Kungl
André Karl
Eva Jodat
Rüdiger‐A. Eichel
Elucidating Parasitic Currents in Proton‐Exchange‐Membrane Electrolytic Cells via Physics‐Based and Data‐Driven Modeling
Electrochemical Science Advances
data‐driven
degradation
modeling
parasitic current
physics‐based
proton‐exchange membrane
title Elucidating Parasitic Currents in Proton‐Exchange‐Membrane Electrolytic Cells via Physics‐Based and Data‐Driven Modeling
title_full Elucidating Parasitic Currents in Proton‐Exchange‐Membrane Electrolytic Cells via Physics‐Based and Data‐Driven Modeling
title_fullStr Elucidating Parasitic Currents in Proton‐Exchange‐Membrane Electrolytic Cells via Physics‐Based and Data‐Driven Modeling
title_full_unstemmed Elucidating Parasitic Currents in Proton‐Exchange‐Membrane Electrolytic Cells via Physics‐Based and Data‐Driven Modeling
title_short Elucidating Parasitic Currents in Proton‐Exchange‐Membrane Electrolytic Cells via Physics‐Based and Data‐Driven Modeling
title_sort elucidating parasitic currents in proton exchange membrane electrolytic cells via physics based and data driven modeling
topic data‐driven
degradation
modeling
parasitic current
physics‐based
proton‐exchange membrane
url https://doi.org/10.1002/elsa.70000
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