2D multiphysics model for proton conductor ceramic technology investigating the effects of temperature, composition of reactants and electrolyte material

The main goal of this work is the development of a model for a protonic ceramic electrolysis cell (PCEC), a technology emerging as a promising alternative to traditional solid oxide cells (SOCs). A two-dimensional numerical model has been developed for the simulation of a planar cell (5 × 5 cm 2 ). The model is set up as the combination of a thermal-fluid-dynamic model and an electro-chemical one, also comprehending the transport of three defects (protons, electron holes and oxygen vacancies) through the membrane, typical for barium-based zirconate. Firstly, a state-of-the-art B a Z r 0.8 Y 0.2 O 3 − δ (BZY) electrolyte material and cell structure (electrode supported Ni-BZY/BZY/SFM-BZY) with available experimental performance data have been selected from literature. Furthermore, the parameters required to model a novel material B a C e 0.65 Z r 0.2 Y 0.15 O 3 − δ (BCZY), still not available in literature, have been introduced. The purpose of this study is to quantify the effect of different operating conditions and modeling assumptions on the hydrogen production performance for the state of the art BZY electrolyte, also establishing the effect of the electronic leakage on the transport number and faradaic efficiency. Finally, this material is compared to the newly introduced BCZY to assess their respective advantages and disadvantages. • 2D thermo-fluid-dynamic-electrochemical model of protonic ceramic electrolysis. • Sensitivity analysis of operating conditions on the electrolysis performance. • BCZY improves proton transport and faradaic efficiency compared to BZY20. • Higher water content at electrodes enhances faradaic efficiency. • Increased temperature raises proton diffusivity but lowers proton concentration.