Development and Validation of Nitrogen Oxides Formation Mechanism for High-Temperature Conditions Using the Reaction Mechanism Generator (RMG) | Synapse
April 10, 2026Open Access
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
Reaction mechanism generator (RMG) 1. 1. (HNO 3 ) (NH 3 ) NO , NO NO 2 Ostwald 2. Haber-Bosch , CO 2 1-2% 3. ,