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High-resolution porous structures of catalyst layer (CL) with multicomponentin proton exchange membrane fuel cells are reconstructed using a reconstructionmethod called quartet structure generation set. Characterization analyses ofnanoscale structures are implemented including pore size distribution, specificarea and phase connectivity. Pore-scale simulation methods based on the latticeBoltzmann method are developed and used to predict the macroscopic transportproperties including effective diffusivity and proton conductivity. Nonuniformdistributions of ionomer in CL generates more tortuous pathway for reactanttransport and greatly reduces the effective diffusivity. Tortuosity of CL ismuch higher than conventional Bruggeman equation adopted. Knudsen diffusionplays a significant role in oxygen diffusion and significantly reduces theeffective diffusivity. Reactive transport inside the CL is also investigated.Although the reactive surface area of non-precious metal catalyst (NPMC) CL ismuch higher than that of Pt CL, the oxygen reaction rate is quite lower in NPMCCL compared with that in Pt CL, due to much lower reaction rate. Micropores (afew nanometers) in NPMC CL although can increase reactive sites, contributelittle to enhance the mass transport. Mesopores (few tens of nanometers) ormacropores are required to increase the mass transport rate.

Nanoscale study of reactive transport in catalyst layer of proton  exchange membrane fuel cells with precious and non-precious catalysts using  lattice Boltzmann method