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

The Hybrid Lattice Boltzmann Agglomeration Method (HLBAM) was employed to model transport phenomena and electrochemical kinetics in the catalyst layer of a polymer electrolyte membrane fuel cell (PEMFC). This work showed the advantages of using a direct modeling-based HLBAM approach, which incorporates the detailed structure of catalyst layers from X-ray computed tomography as well as local transport variables related characteristics and effective properties from the hybrid catalyst microstructure. The local transport variables and effective properties from the hybrid catalyst model were used to simulate the electrochemical kinetics inside the detailed structure of the catalyst layer. HLBAM can predict the distribution of local effective transport variables and electrochemical kinetics during cell operation. The studies included the prediction of liquid water saturation/evolution, heat transfer, species transport, and electrochemical kinetics inside the porous and catalyst layers relevant to fuel cell operation. HLBAM enables one to distinguish electrochemical distribution in the triple-phase boundaries at the catalyst sites. 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 medium design and durability as well as provide insights into water management, particularly in the catalyst layer.