Development and Validation of Nitrogen Oxides Formation Mechanism for High-Temperature Conditions Using the Reaction Mechanism Generator (RMG)

Key Points

• To develop and validate a reaction mechanism for nitrogen oxides formation under high-temperature conditions.
• Utilized the Reaction Mechanism Generator (RMG) for mechanism development.
• Focused on nitrogen oxides like NO and NO2 formation from HNO3 and NH3.
• Analyzed reactions relevant to Haber-Bosch processes.
• Successfully established a robust mechanism for nitrogen oxides formation.
• Demonstrated that high-temperature conditions significantly influence reaction pathways.

Abstract