Polymer Electrolyte Membrane (PEM) electrolyzers as a promising technology in addressing climate change challenges and facilitating the development of renewable energy sources at lower costs. They offer clean operation and scalability, making them a valuable tool for harnessing energy without leaving any carbon footprint. However, a key challenge to widespread PEM electrolyzer adoption is the cost of the porous transport layer (PTL). In this study, we address this challenge by utilizing stochastic modeling to develop 3D PTL models numerically. To optimize the structural and transport properties of the PTL, we explored a range of combinations for the radius (2, 3, 4, 5 µm) and volumetric fraction (20%, 40%, 60%, 80%, 100%) of small fibers dispersed within a matrix of large fibers (6 µm) (Figure 1). The structural properties (e.g., mean surface roughness, specific surface area) were analyzed numerically, whereas transport properties (e.g., thermal conductivity, electrical conductivity, and diffusivity) were analyzed via pore network modeling. Before further analysis, our model was validated against both experimental and numerical results from previous research works. In our study, we observed that increasing the volumetric fraction of small fibers, while decreasing their radius, led to reduced surface roughness and higher thermal and electrical conductivity. However, this came at the cost of increased tortuosity, which hindered the diffusion and permeability of the material. Conversely, PTLs with a higher volumetric fraction of large fibers exhibited the opposite trend.By combining these insights, we developed customized multi-layer PTLs. These PTLs have a small fiber radius at the catalyst side and a large fiber radius at the flow-field side. This design leverages the advantages of both small and large fiber radii. Our customized multi-layer PTLs demonstrated improved gas removal, higher electrical conductivity, and better heat dissipation while maintaining good surface contact area and reduced roughness. To utilize the benefits of our modeled multi-layer PTL in an electrolyzer cell, the volumetric fractions of the fiber radius should be adjusted based on operating conditions. By tailoring the fiber characteristics and PTL geometries, we can develop optimized PTL models that can be scaled to real-time PEM electrolyzer setups for renewable energy generation, paving the way for a better future. Figure 1
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