Detailed kinetic model for combustion of NH 3 /H 2 blends
Abstract
calculations, minimizing reliance on estimated parameters. A new detailed kinetic mechanism was generated using the reaction mechanism generator (RMG). For six key pressure-dependent reactions, recently developed bath-gas mixture rules and temperature-dependent third-body efficiencies were applied to improve the treatment of composition effects. The resulting mechanism was validated against experimental laminar-burning velocities, ignition-delay times, flow-reactor species profiles, and jet-stirred-reactor data, and compared with several recent literature mechanisms. Without any empirical rate-coefficient adjustments, the model reproduces many experimental observations with good overall agreement, while remaining discrepancies highlight persistent uncertainties in nitrogen-oxide chemistry. As no parameters were tuned to reproduce specific experimental targets, we expect the model to extrapolate well to conditions where experimental data are limited.
Fields of Study & Subjects
Combustion and flame dynamics
Advanced Combustion Engine Technologies
Catalytic Processes in Materials Science
Publication details
- Journal / source
- Physical Chemistry Chemical Physics
- Publisher
- Royal Society of Chemistry (RSC)
- Volume
- 28
- Issue
- 10
- Pages
- 6411–6424
- Publication date
- 1 January 2026
- Language
- EN