Presentation
Screening Binary Redox Pairs for Solar Thermochemical Ammonia Synthesis Using Machine Learned Predictions of Gibbs Formation Energies at Finite Temperatures
Solar thermochemical ammonia synthesis (STAS) is a reduction/oxidation (redox) cycle which enables the production of ammonia (NH3) from air, water, and concentrated sunlight. In this process, a metal nitride (MN) is oxidized by steam to produce a metal oxide (MO) and NH3; the resulting MO is reduced at high temperature (driven by concentrated solar radiation) and subsequently used to reduce atmospheric nitrogen (N2) and reform the MN and restart the NH3 synthesis cycle. The identification of optimal redox pairs (MO/MN) for this process has been historically limited by the lack of thermochemical data (i.e., Gibbs formation energies at finite temperatures)…