Computer-aided simulation of the cathodic active layer in fuel cells with solid polymer electrolyte: the nature of overall current transient

Abstract

Total computer-aided simulation of the structure and current-generation processes in the cathodic active layer of a fuel cell with solid polymer electrolyte is carried out. Not only the transport structure of the active layer but also the structure of support grains (agglomerates of carbon particles with platinum-covered surface) are modeled. The process of active layer functioning under potentiostatic conditions is studied. It is demonstrated for the first time how the moisture exchange in the pores of support grains affects the cathode overall characteristics. The time variations of the overall current, the average temperature of the active layer, and the total degree of water-flooding of support-grain pores within the active layer are calculated by numerical methods. It is shown that for the fuel cell voltage of 0.6 V and its working temperature of 80°C, the flooding process dominates over the process of drying of pores in support grains. In 10–15 s, all support-grain pores turn out to be entirely filled with water. Then they begin functioning not in the kinetic mode (in the moment of switching-on the current, the Knudsen diffusion of oxygen in the support grains is observed) but in the inner-diffusion mode. As a result, the overall cathodic current decreases from its initial value of 4.323 A/cm2 to its final value of 0.526 A/cm2 and the active layer temperature decreases from the initial value of 102°C to the final value of 82.5°C. The overall current transient is studied also experimentally, the qualitative coincidence of theoretical and experimental data is demonstrated.