Effects of Nafion content in the catalyst layer of PEMFC on the transport phenomenon among nanoscale particles

Abstract

Nafion, as a key component in the catalyst layer, plays a crucial role in the mass transport and electrochemical reactions within the catalyst layer. In this study, a numerical method is employed to reconstruct the three-dimensional nanoscale microstructure of the catalyst layer, including pores, Nafion, carbon particles, and Pt phases. A pore-scale model in which the Knudsen effect is taken into account is used to simulate the impact of Nafion contents on the interparticle transport and electrochemical reactions within the catalyst layer. The results show that the pore-scale simulation based on the reconstructed model can clearly reveal the mass transport process and highly uneven distribution of each physical quantity in the nanoscale particles and pores; When the Nafion content is relatively higher, the proton current distribution at the Pt/Nafion interface is relatively more uniform and the proton supply is sufficient. However, there is an inverse correlation between the oxygen mole concentration on the Pt surface and the Nafion content, which is the dominant factor affecting the electrochemical reactions on the Pt particle surface. When the Nafion content is lower, the proton supply becomes the dominant factor in the electrochemical reaction on the surface of Pt particles due to the weak connectivity of Nafion between the agglomerates. The combined effect of oxygen and proton transport result in the optimal Nafion volume fractions of 0.296 and 0.262 at voltages of 0.8 V and 0.7 V, respectively. The optimal Nafion volume fraction ranges between 0.224 and 0.262 at 0.6 V. As the voltage decreases, the effect of oxygen transport becomes more significant, and the optimal Nafion content decreases accordingly.