Performance Modeling and Simulation of Three-Dimensional Perforated PEM Fuel Cells

EFCF 2025: Low-Temp. Fuel Cells, Electrolysers & H2 Processing 1 – 4 July 2025, Lucerne Switzerland https://doi.org/10.5281/zenodo.17476278 B0810 Page 1/8 B0810 Performance Modeling and Simulation of ThreeDimensional Perforated PEM Fuel Cells Abdallah Kezire* (1), Thomas Kadyk (1), Michael H. Eikerling (1,2) (1) Theory and Computation of Energy Materials (IET-3), Institute of Energy Technologies, Forschungszentrum Jülich GmbH, 52425 Jülich/Germany; (2) Theory and Computation of Energy Materials, Faculty of Georesources and Materials Engineering, RWTH Aachen University, 52062 Aachen/Germany. *Contact corresponding authors: www.EFCF.com/ContactRequest Abstract Proton exchange membrane fuel cells (PEMFCs) have gained significant attention due to their excellent performance attributes and versatility in transportation applications and stationary power generation. However, challenges in water management, particularly within the gas diffusion layer (GDL) at the cathode side, continue to limit their performance and durability. This study investigates the role of GDLs, whose structure and properties are systematically tuned by laser perforation, for product water removal and overall cell performance. We present a 3D simulation framework to analyze the impact of the perforation geometry and density on distributions of reactants, reaction rates, water transport properties, and electrical performance. The mathematical model is solved using COMSOL Multiphysics. We will report and discuss results of parametric studies conducted to study the influence of the tunable GDL structure on permeability and conductivity and examine the impact of perforation geometry and density on cell performance. This computational approach provides valuable insights into the design of GDL for improved PEMFC performance, offering a robust and cost-effective alternative to experimental approaches. [1], [2] EFCF 2025: Low-Temp. Fuel Cells, Electrolysers & H2 Processing 1 – 4 July 2025, Lucerne Switzerland https://doi.org/10.5281/zenodo.17476278 B0810 Page 2/8 Introduction Proton exchange membrane fuel cells (PEMFCs) are widely recognized for their high efficiency, rapid start-up, and suitability for both transportation and stationary power applications[3], [4]. Despite their advantages, PEMFCs face significant challenges notably the high cost of platinum (Pt) catalysts[5]. Researchers have explored various strategies to reduce Pt utilization, including optimizing Pt loading on carbon substrates[6] and developing alternative catalyst supports[7]. Another essential advancement has been the introduction of diffusion media (DM), which refers in this work to the gas diffusion layer (GDL) and microporous layer (MPL), a dense, hydrophobic layer that is coated on to the GDL. The DM serves as a transition between the flow fields and the catalyst layers, enhancing reactant transport and overall cell performance[8], [9]. Water management within the GDL and catalyst layer (CL) is a critical challenge[10], [11]. At high current densities, the rate of water production increases. If this water is not effectively removed, it can flood the pores of GDL and CL, blocking oxygen transport to the reaction sites and significantly reducing cell performance[12]. Recent studies have shown that cracks and other defects in the MPL can act as pathways for liquid water removal[13], prompting a surge of interest in intentionally engineering such features during manufacturing[2]. More specifically, laser perforation has emerged as a promising approach to create precisely controlled pathways for water expulsion directly within the GDL structure [14], [15]. The beneficial effect of the perforations has been observed through numerous imaging techniques[14], [16]. Given the time-consuming nature and high costs of extensive experimental testing, modeling and simulation have become essential tools for advancing PEMFC design. For decades, researchers have relied on predictive models to analyze fuel cell behavior under diverse conditions[17], [18], [19], [20]. By simulating design modifications, e.g. in this work, GDL perforations, these tools enable rapid evaluation of performance impacts without physical prototyping. This approach accelerates development cycles by identifying high-potential configurations for targeted experimental validation, while minimizing expensive, resource demanding and time-consuming testing. The aim of this study is to use advanced numerical simulations to determine the optimal perforation parameters for a GD. This paper introduces the methodology and anticipated insights, providing a foundation for future simulation, experimental validation, and practical applications. 1. Challenges and Advances in GDL Water Management Recent studies have demonstrated that both cracks and perforations in the GDL and MPL can significantly enhance PEMFC performance by improving water management. Sasabe et al.[13] used soft X-ray radiography to show that, in PEMFCs with cracked MPLs, liquid water primarily moves through larger cracks to reach the substrate layer, while the hydrophobic MPL itself restricts water access and smaller pores remain effective gas pathways. Markötter et al.[15] observed via synchrotron X-ray radiography that GDL perforations significantly affect water distribution, with perforations acting as preferred sites for water accumulation or drainage. Building on these findings, studies have explored the optimization of GDL design through experimental and computational approaches. Gerteisen et al.[2], employing laser perforation and electrochemical testing, demonstrated that modified GDLs enhance water removal, EFCF 2025: Low-Temp. Fuel Cells, Electrolysers & H2 Processing 1 – 4 July 2025, Lucerne Switzerland https://doi.org/10.5281/zenodo.17476278 B0810 Page 3/8 reduce overpotential, and boost the limiting current density in PEMFCs. In a follow up study, Gerteisen et al. [21] used multiple electrochemical techniques such as constant current load, polarization curve, chronoamperometry and chronovoltammetry to demonstrate that laserperforated GDLs in a 6-cell PEMFC stack reduce pore flooding, improve performance and stability at higher current densities, and help homogenize water distribution across the stack. Manahan and Mench [22] found that laser-cut perforations in PEFC diffusion media can significantly enhance performance, increasing the limiting current by up to 7% under lowhumidity conditions, provided the perforation diameter is carefully optimized to balance gas and water transport. Complementary computational efforts have provided further insights, showing that the geometry and distribution of perforations are key factors in determining their effectiveness. Wang et al.[23] demonstrated, through combined experimental and numerical analysis, that laser-perforated GDLs with 100 µm diameter holes and 2 mm spacing most effectively enhance water discharge and power density in PEMFCs. Niu et al.[24], using a 3D twophase volume of fluid (VOF) model and stochastic microstructure reconstruction, showed that GDL perforations can decrease water accumulation and increase oxygen concentration at the catalyst layer by up to 101% under optimal conditions. Motivated by these findings, we focus on the specific challenge of balancing operating conditions with structural modifications of the GDL. Notably, laser perforation has been observed to locally burn the PTFE in the surrounding region[14], altering the wetting properties, an effect we explicitly account for in our modelling by adjusting local wettability. Additionally, the perforations may not always align perfectly under the channel during manufacturing. To address this, we consider three distinct configurations: perforation under the channel, under the rib, and partially under the channel. Our analysis is further extended by separately examining the GDL and MPL, first considering only perforated MPL, then only perforated GDL, and finally both perforated together (see graphical abstract). This comprehensive approach not only goes beyond simple optimization of hole size and density but also incorporates manufacturing uncertainties and a fundamental understanding of how these structural and wetting modifications impact overall performance. To achieve this, we employ a 3D computational model implemented in COMSOL Multiphysics. The model accounts for the coupled transport of reactants, products, and charge within the fuel cell, with particular attention to the impact of perforation geometry on water distribution and removal. By systematically varying the perforation diameter and density, we aim to identify configurations that promote efficient water management while maintaining robust gas transport and electrical conductivity. This approach not only streamlines the design process but also provides a foundation for targeted experimental studies, ensuring that future GDL modifications are both effective and cost-efficient. 2. Methodology A three-dimensional model has been developed, composed of seven distinct domains: the cathode flow field, cathode GDL, cathode catalyst layer, proton exchange membrane, anode catalyst layer, anode GDL, and anode flow field. This setup represents a single channel of a PEM fuel cell, but in order to optimize computational efficiency, the model is further simplified by focusing only on a small segment of the channel, specifically, the part surrounding a perforation. EFCF 2025: Low-Temp. Fuel Cells, Electrolysers & H2 Processing 1 – 4 July 2025, Lucerne Switzerland https://doi.org/10.5281/zenodo.17476278 B0810 Page 4/8 We start with a conventional, non-perforated channel geometry as a benchmark, see Fig. left. This allows us to establish a baseline for performance. The model is then modified by introducing a perforation into the GDL, see Fig. 1 right, and we compute the behavior specifically for this localized region. This simplification is justified by the fact that the cell’s geometry contains inherent symmetries, which means that the behavior of the entire channel can be reasonably inferred from a representative subset. This approach helps save significant computational resources and gain a fundamental understanding without compromising the accuracy of the results. By comparing the results from the non-perforated and perforated cases, we can directly infer the impact of structural modifications on water management and overall cell performance. Fig. 1 Baseline and Modified DM Configurations for PEMFC Water Management Analysis Table 1. Geometrical and structural parameters Parameter Value Membrane thickness T_m 15 µm Electrode thickness T_e 10 µm Flow field channel width W_c 0.5 mm Flow field channel depth D_c 0.8 mm Rib width W_r 0.8 mm GDL thickness T_g 200 µm Perforation spacing Sp 300 µm Perforation diameter Di 100 µm Mathematical model: The framework used in this study is based on the built-in PEMFC module of COMSOL Multiphysics [25], a macro homogeneous model, which provides a robust and widely validated set of governing equations for simulating fuel cell behaviour. The key assumptions made in the model are: - Steady-state operation is assumed. - The species are O2 (oxygen), H2 (hydrogen), and H2O (water) - Gas and liquid phases are treated as continuous in the mixture model - Gravity and thermal gradients are neglected. - Each domain is considered isotropic and homogeneous. - Electrochemical reactions occur only at the catalyst layers. EFCF 2025: Low-Temp. Fuel Cells, Electrolysers & H2 Processing 1 – 4 July 2025, Lucerne Switzerland https://doi.org/10.5281/zenodo.17476278 B0810 Page 5/8 - Laminar, incompressible flow is assumed. Material properties, such as effective diffusivity and permeability, are parameterized using the pore size distribution data provided by our experimental partners, ensuring that the model accurately reflects the microstructural characteristics of the actual GDL material. The governing equations implemented for the simulations are as follows: • Charge Conservation: ∇.𝑖𝑖= 𝑖𝑣,𝑡𝑜𝑡𝑎𝑙 where 𝑖𝑖 is the ionic current density and 𝑖𝑣,𝑡𝑜𝑡𝑎𝑙 is the total volumetric source term. 𝑖𝑙=−𝜎𝑙,𝑒𝑓𝑓𝛻Φ𝑙 ∇.𝑖𝑠= −𝑖𝑣,𝑡𝑜𝑡𝑎𝑙 𝑖𝑠=−𝜎𝑠𝛻Φ𝑠 where Φ𝑖 and Φ𝑠 are the ionic and electronic potentials, and 𝜎𝑖,𝑒𝑓𝑓, 𝜎𝑠 are the effective conductivities. • Species Conservation: ∇.𝑗𝑖+𝜌(𝑢.∇)𝜔𝑖=𝑅𝑖,𝑡𝑜𝑡𝑎𝑙 𝑗𝑖= −𝜌𝜔𝑖∑𝐷 𝑖𝑘,𝑒𝑓𝑓𝑑𝑘 𝑘 Where 𝜌 is the density of the species 𝑖, 𝑢 is the velocity of the species 𝑖, 𝜔𝑖 is the mass fraction of species 𝑖, 𝑅𝑖,𝑡𝑜𝑡𝑎𝑙 is the total source/sink term for species i, 𝐷 𝑖𝑘,𝑒𝑓𝑓 is the effective diffusivity, and 𝑑𝑘 is the driving force for species 𝑘. 𝑑𝑘= ∇𝑥𝑘+1 𝜌𝐴(𝑥𝑘−𝜔𝑘)∇𝜌𝐴 𝑥𝑘=𝜔𝑘 𝑀𝑘𝑀𝑛 where 𝑥𝑘 is the mole fraction, 𝜔𝑘 is the mass fraction, 𝑀𝑘 is the molar mass of species 𝑘, and 𝑀𝑛 is the average molar mass. • Continuity Equation: ∇.(𝜌𝑢)= 𝑄𝑚 where 𝑄𝑚 is the mass source term. • Momentum Conservation (Darcy’s Law): 𝑢 = −𝜅𝑔 𝜇∇𝑝 EFCF 2025: Low-Temp. Fuel Cells, Electrolysers & H2 Processing 1 – 4 July 2025, Lucerne Switzerland https://doi.org/10.5281/zenodo.17476278 B0810 Page 6/8 where 𝜅𝑔 is the permeability, 𝜇 is the dynamic viscosity, and 𝑝 is the pressure. 𝑝𝐴= 𝑝+𝑝𝑟𝑒𝑓 where 𝑝𝐴 is the absolute pressure and 𝑝𝑟𝑒𝑓 is a reference pressure. These equations collectively describe the coupled transport of charge, mass, and momentum within the PEM fuel cell domains, and form the basis of the numerical simulations performed in this study. 3. Planned studies and expected results Our analysis will focus on liquid water distribution and dynamics within the cathode GDL and flow field, as well as on polarization curves, to quantitatively assess the impact of each structural and operational parameter. By systematically exploring the perforation geometry, we expect to identify optimal configurations that maximize water removal and minimize mass transport losses, thereby enhancing cell performance across a range of operating conditions. The impact of manufacturing uncertainties will be evaluated, giving insights and guidelines for scaling up fabrication and ensuring quality control. To ensure the validity and robustness of our findings, simulation results will be compared with both published literature and experimental data. This dual-validation approach will help confirm the predictive capability of our model and provide confidence in the practical relevance of our recommendations for GDL design. This structured approach is designed to provide actionable insights for the optimization of GDL design and to advance the understanding of water management in PEMFCs. 4. Conclusion and future work The use of numerical simulations in the study of PEM fuel cells offers a powerful means to rapidly assess the impact of structural modifications, such as laser perforations in the GDL, on overall cell performance. By analyzing major parameters such as hole diameter and density, computational models can identify promising design strategies while significantly reducing the time and cost associated with experimental trial and error. The expected impact of this work is twofold: it provides insights for optimizing GDL design and manufacturing and supports the broader goal of enhancing PEMFC reliability and efficiency, especially at high current densities. While the concept of GDL perforations has demonstrated considerable promise, achieving optimized solutions requires a deeper understanding of the underlying mechanisms. Future work will focus on the behavior of water at the pore scale, especially in the vicinity of the perforations. This detailed exploration will help clarify how water is transported and expelled through the GDL, ultimately guiding the development of more effective and durable fuel cell designs. Acknowledgements This work is part of the project IMPEDIA, which is being funded by the Federal Ministry for Digital and Transport Affairs (BMDV) as part of “Directive 03B11045C”. Funding for this EFCF 2025: Low-Temp. Fuel Cells, Electrolysers & H2 Processing 1 – 4 July 2025, Lucerne Switzerland https://doi.org/10.5281/zenodo.17476278 B0810 Page 7/8 measure is also provided as part of the German Recovery and Resilience Plan (DARP) via the European Recovery and Resilience Facilities (ARF) in the NextGenerationEU program. The funding guideline is coordinated by NOW GmbH and implemented by Project Management Jülich (PtJ). References [1] C. Geiger, J. Kriegler, T. Weiss, A. Berger, and M. F. Zaeh, “Micro-perforation of the diffusion media for polymer electrolyte membrane fuel cells using short and ultrashort laser pulses,” Procedia CIRP, 2023. [2] D. Gerteisen, T. Heilmann, and C. Ziegler, “Enhancing liquid water transport by laser perforation of a GDL in a PEM fuel cell,” J. 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