Critical evaluation and thermodynamic modeling of the Mn–Cr–O system for the oxidation of SOFC interconnect

Abstract

A complete critical evaluation and thermodynamic modeling of the phase diagrams and thermodynamic properties of the Mn–Cr–O system at 1 bar total pressure are presented. Optimized equations for the thermodynamic properties of all phases are obtained, which reproduce all available and reliable thermodynamic and phase equilibrium data within experimental error limits from 25 °C to above the liquidus temperatures at all compositions and oxygen partial pressures. As results of optimization, the Gibbs energy function of MnCr 2O 4 is for the first time properly estimated and the discrepancies of the phase diagram experiments of the Mn–Cr–O system are resolved. In particular, unexplored phase diagrams and thermodynamic properties of the Mn–Cr–O system of importance for the oxidation of SOFC interconnect are predicted on the basis of the optimized model parameters. The database of the model parameters can be used along with software for Gibbs energy minimization in order to calculate any type of phase diagram sections and thermodynamic properties.