Modeling Electro-Chemo-Mechanical Behaviors within the Dense BaZr0.8Y0.2O3-δ Protonic-Ceramic Membrane in a Long Tubular Electrochemical Cell.

This paper reports an extended Nernst-Planck computational model that couples charged-defect transport and stress in tubular electrochemical cell with a ceramic proton-conducting membrane. The model is particularly concerned with coupled chemo-mechanical behaviors, including how electrochemical phenomena affect internal stresses and vice versa. The computational model predicts transient and steady-state defect concentrations, fluxes, stresses within a thin BaZr0.8Y0.2O3-δ (BZY20) membrane. Depending on the polarization (i.e., imposed current density), the model predicts performance as a fuel cell or an electrolyzer. A sensitivity analysis reveals the importance of thermodynamic and transport properties, which are often not readily available.