A comprehensive modeling study of hydrogen oxidation

TLDR

A detailed kinetic mechanism was developed to simulate H₂/O₂ combustion across temperatures 298–2700 K, pressures 0.05–87 atm, and equivalence ratios 0.2–6, with sensitivity analysis identifying dominant reactions. The model showed good agreement with experimental ignition delay times, flame speeds, and species composition across the tested conditions. © 2004 Wiley Periodicals, Inc., Int J Chem Kinet 36:603–622.

Abstract

Abstract A detailed kinetic mechanism has been developed to simulate the combustion of H 2 /O 2 mixtures, over a wide range of temperatures, pressures, and equivalence ratios. Over the series of experiments numerically investigated, the temperature ranged from 298 to 2700 K, the pressure from 0.05 to 87 atm, and the equivalence ratios from 0.2 to 6. Ignition delay times, flame speeds, and species composition data provide for a stringent test of the chemical kinetic mechanism, all of which are simulated in the current study with varying success. A sensitivity analysis was carried out to determine which reactions were dominating the H 2 /O 2 system at particular conditions of pressure, temperature, and fuel/oxygen/diluent ratios. Overall, good agreement was observed between the model and the wide range of experiments simulated. © 2004 Wiley Periodicals, Inc. Int J Chem Kinet 36: 603–622, 2004