An updated comprehensive kinetic model of hydrogen combustion

TLDR

The study builds on Mueller et al.’s hydrogen/oxygen kinetic mechanism, providing a comprehensively tested H₂/O₂ model. The authors aim to present updated kinetic and thermodynamic data for the H₂/O₂ system. The revised mechanism is validated across shock tubes, flow reactors, and laminar premixed flames. The model shows excellent agreement with experimental data, accurately predicting high‑pressure laminar flame speeds and shock‑tube ignition, and demonstrates that the H + OH + M reaction is mainly relevant for high‑pressure flame propagation while transport coefficient choices can be accommodated by adjusting this reaction’s rate within uncertainties. © 2004 Wiley Periodicals, Inc., Int J Chem Kinet 36:566–575.

Abstract

Abstract A comprehensively tested H 2 /O 2 chemical kinetic mechanism based on the work of Mueller et al. 1 and recently published kinetic and thermodynamic information is presented. The revised mechanism is validated against a wide range of experimental conditions, including those found in shock tubes, flow reactors, and laminar premixed flame. Excellent agreement of the model predictions with the experimental observations demonstrates that the mechanism is comprehensive and has good predictive capabilities for different experimental systems, including new results published subsequent to the work of Mueller et al. 1 , particularly high‐pressure laminar flame speed and shock tube ignition results. The reaction H + OH + M is found to be primarily significant only to laminar flame speed propagation predictions at high pressure. All experimental hydrogen flame speed observations can be adequately fit using any of the several transport coefficient estimates presently available in the literature for the hydrogen/oxygen system simply by adjusting the rate parameters for this reaction within their present uncertainties. © 2004 Wiley Periodicals, Inc. Int J Chem Kinet 36: 566–575, 2004