Multiscale Modeling Prediction of PEMFC MEA Durability under Automotive-Operating Conditions

摘要

In this paper we present a comprehensive physical-based model of the PEMFC materials degradation allowing the prediction of the MEA durability as a function of the operation conditions, initial material loadings and electrodes microstructure. The approach, built within a modular multiscale non-equilibrium thermodynamics framework, couples atomistic-based descriptions of catalyst contamination/oxidation/dissolution/ripening, dissolved catalyst migration in the ionomer, C catalyst-support corrosion and chemical PEM degradation, with the degradation-induced nano/microstructural and transport properties (of reactants and charges) evolution. By describing the feedback between the instantaneous performance and the material aging phenomena, the model provides new insights on the competition between the different degradation processes under automotive-operating conditions. The predictive capabilities of our approach are illustrated in this paper through four applicative examples: 1) Pt_xCo_y catalysts degradation 2) competition of PEM and cathode C degradation 3) synergies between anodic CO contamination and PEM and cathode C degradation, and 4) synergies between Pt and C degradation.