Agglomerates in Polymer Electrolyte Fuel Cell Electrodes: Part II. Transport Characterization

We present a direct numerical simulation model for probing reactant transport at nano scale in agglomerates extracted from nano X-ray tomography of a cathode electrode. For use in macroscale models, agglomerate effectiveness factors for dry and flooded states of primary pores are correlated in terms of a rate constant for oxygen reduction reaction (ORR) and agglomerate size. We introduce a robust technique, named path of least resistance, for quantification of O-2 transport resistance for catalyst surfaces distributed in agglomerates. Our analysis indicates that the O-2 transport resistance in the primary pores is negligible in comparison to the resistance in the ionomer film covering the catalyst if the pores are dry, but in large agglomerates, it greatly exceeds the ionomer resistance if the pores are flooded with water. With fast reaction kinetics, flooding of the primary pores completely blocks reactant transport to the catalyst in the inner sections of the agglomerates, and the majority of the current is generated by the catalyst near the agglomerate surface. Conversely, catalyst in the inner sections remain accessible to O-2 even at high ORR rates if the primary pores are dry, and the current production follows the electrochemically active surface area distribution in the agglomerates. (c) 2018 The Electrochemical Society.