Abstract
Ammonia's (NH(3)) high hydrogen concentration and simplicity of storage and transportation have made it a promising energy source, especially for hydrogen production. Using an iridium (Ir)-based catalyst for clean space applications, this study examines the release of NH(3) during the thermal decomposition of hydroxylammonium nitrate (HAN), a green energetic propellant. Differential thermal analysis-thermogravimetry in conjunction with mass spectrometry (DTA-TG/MS) was used to examine the thermal decomposition. The generation of NH(3) was verified by subsequent fragment analysis. Coupled cluster approaches were utilized to validate NH(3) generation and to further clarify the reaction process. Combining the theoretical and experimental methods highlights the feasibility of employing HAN as a precursor for NH(3) production, indicating that it can be used as a sustainable energy source for space propulsion systems. The effect of temperature on NH(3) production using a coupled cluster is also explored.