Detailed kinetic model for combustion of NH 3 /H 2 blends

Read full text
Authors: Yu-Chi Kao, Anna C. Doner, Timo T. Pekkanen, Chuangchuang Cao, Sunkyu Shin, Alon Grinberg Dana, Yi‐Pei Li, William H. Green
Cited by: 1
References: 60

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