Hybrid Lattice Boltzmann Agglomeration Method for Modeling Transport Phenomena in Catalyst Layer of Polymer Electrolyte Membrane Fuel Cells

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The Hybrid Lattice Boltzmann Agglomeration Method (HLBAM) is employed to model transport phenomena and electrochemical kinetics in the catalyst layer of a polymer electrolyte membrane fuel cell (PEMFC). This work shows the advantages of using a direct modeling-based HLBAM approach [1], which incorporates the detailed structure of porous/catalyst layers from X-ray CT as well as transport variables related characteristics and effective properties from the hybrid catalyst layer microstructure [2]. The conceptual method of this approach, with the detailed structure of model geometries, is shown in Figure 1. The detailed geometries consist of the gas diffusion layer (GDL), micro porous layer (MPL), catalyst layer (CL), and hybrid CL microstructure. The local transport variables and effective properties from the hybrid microstructure model are used to perform and simulate the electrochemical kinetics inside the detailed structure of CL. HLBAM can also predict and investigate the distribution of transport variables and electrochemical kinetics during cell operation condition. The studies include the prediction of liquid water saturation/evolution, breakthrough pressure, heat transfer, species transport, and electrochemical kinetics inside the porous and catalyst layers relevant to fuel cell operation. The examination of oxygen distribution within the detailed structure is shown in Figure 2. The predictions using HLBAM were compared and validated with a macro-kinetics model and experimental data [1, 3]. This method can expedite the development of porous components in PEMFCs in a cost-effective manner. The HLBAM simulation can assist the optimization of porous structure design and durability as well as provide insights to water management, particularly in the catalyst layer.