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Multiphysics and Multiscale Modeling of PEM Water Electrolyzers: From Transport Mechanisms to Performance Optimization.

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Title: Multiphysics and Multiscale Modeling of PEM Water Electrolyzers: From Transport Mechanisms to Performance Optimization.
Authors: Yu, Changbai1 (AUTHOR), Luo, Liang1 (AUTHOR), Han, Yuheng1 (AUTHOR), Mao, Pengyu1 (AUTHOR), Liu, Yongfu1 (AUTHOR) sa0408@mail.ustc.edu.cn
Source: Energies (19961073). May2026, Vol. 19 Issue 10, p2361. 35p.
Subject Terms: *Multiscale modeling, *Electrolytic cells, *Transport theory, *Computer simulation, *Process optimization, *Machine learning, *Green fuels, *Ion-permeable membranes
Abstract: Proton exchange membrane water electrolysis is a promising technology for large-scale green hydrogen production due to its high efficiency, compact design, and rapid dynamic response. However, its commercialization is strictly limited by high material costs, durability issues, and complex multiphysics coupling within the membrane electrode assembly. This work provides a comprehensive and critical review of key physicochemical processes and advanced predictive modeling approaches for PEMWEs. To capture recent paradigm shifts, we introduce an innovative multi-dimensional classification framework—incorporating spatial resolution, temporal dynamics, and methodological paradigms—to critically evaluate lumped-parameter, continuum, microscale, and multiscale models, explicitly defining their applicability bounds and inherent limitations. The fundamental mechanisms governing electrode kinetics, membrane water transport, and gas–liquid two-phase flow are analyzed, establishing state-of-the-art quantitative benchmarks for microstructural parameters and advanced 3D flow field topologies under high-current-density and high-pressure regimes. Furthermore, we systematically examine model validation rigor, typical prediction errors, and the critical failure of static models in capturing dynamic property shifts during extreme bubble breakthrough. Recent breakthroughs integrating in situ diagnostics, pore-scale simulations, density functional theory, and Physics-Informed Neural Networks are extensively discussed. Future efforts must prioritize mechanical–electrochemical–thermal coupling, transient degradation prognostics, and machine learning-driven predictive digital twin technologies to overcome current empirical limitations and accelerate the gigawatt-scale deployment of PEMWE systems. [ABSTRACT FROM AUTHOR]
Database: Energy & Power Source
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Header DbId: enr
DbLabel: Energy & Power Source
An: 194141476
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PubType: Academic Journal
PubTypeId: academicJournal
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  Label: Title
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  Data: Multiphysics and Multiscale Modeling of PEM Water Electrolyzers: From Transport Mechanisms to Performance Optimization.
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  Data: <searchLink fieldCode="JN" term="%22Energies+%2819961073%29%22">Energies (19961073)</searchLink>. May2026, Vol. 19 Issue 10, p2361. 35p.
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  Data: *<searchLink fieldCode="DE" term="%22Multiscale+modeling%22">Multiscale modeling</searchLink><br />*<searchLink fieldCode="DE" term="%22Electrolytic+cells%22">Electrolytic cells</searchLink><br />*<searchLink fieldCode="DE" term="%22Transport+theory%22">Transport theory</searchLink><br />*<searchLink fieldCode="DE" term="%22Computer+simulation%22">Computer simulation</searchLink><br />*<searchLink fieldCode="DE" term="%22Process+optimization%22">Process optimization</searchLink><br />*<searchLink fieldCode="DE" term="%22Machine+learning%22">Machine learning</searchLink><br />*<searchLink fieldCode="DE" term="%22Green+fuels%22">Green fuels</searchLink><br />*<searchLink fieldCode="DE" term="%22Ion-permeable+membranes%22">Ion-permeable membranes</searchLink>
– Name: Abstract
  Label: Abstract
  Group: Ab
  Data: Proton exchange membrane water electrolysis is a promising technology for large-scale green hydrogen production due to its high efficiency, compact design, and rapid dynamic response. However, its commercialization is strictly limited by high material costs, durability issues, and complex multiphysics coupling within the membrane electrode assembly. This work provides a comprehensive and critical review of key physicochemical processes and advanced predictive modeling approaches for PEMWEs. To capture recent paradigm shifts, we introduce an innovative multi-dimensional classification framework—incorporating spatial resolution, temporal dynamics, and methodological paradigms—to critically evaluate lumped-parameter, continuum, microscale, and multiscale models, explicitly defining their applicability bounds and inherent limitations. The fundamental mechanisms governing electrode kinetics, membrane water transport, and gas–liquid two-phase flow are analyzed, establishing state-of-the-art quantitative benchmarks for microstructural parameters and advanced 3D flow field topologies under high-current-density and high-pressure regimes. Furthermore, we systematically examine model validation rigor, typical prediction errors, and the critical failure of static models in capturing dynamic property shifts during extreme bubble breakthrough. Recent breakthroughs integrating in situ diagnostics, pore-scale simulations, density functional theory, and Physics-Informed Neural Networks are extensively discussed. Future efforts must prioritize mechanical–electrochemical–thermal coupling, transient degradation prognostics, and machine learning-driven predictive digital twin technologies to overcome current empirical limitations and accelerate the gigawatt-scale deployment of PEMWE systems. [ABSTRACT FROM AUTHOR]
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RecordInfo BibRecord:
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    Identifiers:
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        Value: 10.3390/en19102361
    Languages:
      – Code: eng
        Text: English
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      Pagination:
        PageCount: 35
        StartPage: 2361
    Subjects:
      – SubjectFull: Multiscale modeling
        Type: general
      – SubjectFull: Electrolytic cells
        Type: general
      – SubjectFull: Transport theory
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      – SubjectFull: Computer simulation
        Type: general
      – SubjectFull: Process optimization
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      – SubjectFull: Machine learning
        Type: general
      – SubjectFull: Green fuels
        Type: general
      – SubjectFull: Ion-permeable membranes
        Type: general
    Titles:
      – TitleFull: Multiphysics and Multiscale Modeling of PEM Water Electrolyzers: From Transport Mechanisms to Performance Optimization.
        Type: main
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            NameFull: Yu, Changbai
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            NameFull: Luo, Liang
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            NameFull: Han, Yuheng
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            NameFull: Mao, Pengyu
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            – D: 15
              M: 05
              Text: May2026
              Type: published
              Y: 2026
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              Value: 19
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            – TitleFull: Energies (19961073)
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