Pore-scale investigation of mass transport and electrochemistry in a solid oxide fuel cell anode

The development and validation of a model for the study of pore-scale transport phenomena and electrochemistry in a Solid Oxide Fuel Cell (SOFC) anode are presented in this work. This model couples mass transport processes with a detailed reaction mechanism, which is used to model the electrochemical oxidation kinetics. Detailed electrochemical oxidation reaction kinetics, which is known to occur in the vicinity of the three-phase boundary (TPB) interfaces, is discretely considered in this work. The TPB regions connect percolating regions of electronic and ionic conducting phases of the anode, nickel (Ni) and yttria-stabilized zirconia (YSZ), respectively; with porous regions supporting mass transport of the fuel and product. A two-dimensional (2D), multi-species lattice Boltzmann method (LBM) is used to describe the diffusion process in complex pore structures that are representative of the SOFC anode. This diffusion model is discretely coupled to a kinetic electrochemical oxidation mechanism using localized flux boundary conditions. The details of the oxidation kinetics are prescribed as a function of applied activation overpotential and the localized hydrogen and water mole fractions. This development effort is aimed at understanding the effects of the anode microstructure within TPB regions. This work describes the methods used so that future studies can consider the details of SOFC anode microstructure.