A comprehensive modeling study of hydrogen oxidation
Article first published online: 30 AUG 2004
Copyright © 2004 Wiley Periodicals, Inc.
International Journal of Chemical Kinetics
Volume 36, Issue 11, pages 603–622, November 2004
How to Cite
Ó Conaire, M., Curran, H. J., Simmie, J. M., Pitz, W. J. and Westbrook, C. K. (2004), A comprehensive modeling study of hydrogen oxidation. Int. J. Chem. Kinet., 36: 603–622. doi: 10.1002/kin.20036
- Issue published online: 30 AUG 2004
- Article first published online: 30 AUG 2004
- Manuscript Accepted: 28 MAY 2004
- Manuscript Received: 19 NOV 2003
- Higher Education Authority of Ireland. Grant Number: PRTLI-II
A detailed kinetic mechanism has been developed to simulate the combustion of H2/O2 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 H2/O2 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