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A comprehensive modeling study of hydrogen oxidation

Open access
Ó Conaire, Marcus, Curran, Henry J., Simmie, John M., Pitz, William J., Westbrook, Charles K.·2004·International Journal of Chemical Kinetics

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

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Metadata

Authors
Ó Conaire, M., Curran, H. J., Simmie, J. M., Pitz, W. J., & Westbrook, C. K.
Venue
International Journal of Chemical Kinetics
Publisher
Wiley
Published
2004-08-30
Volume
36
Issue
11
Pages
603-622
ISSN
  • 0538-8066 (ISSN-L)
  • 1097-4601
OpenAlex
W1980016266
Cited by
1,226
References
0
FWCI
22.01
Type
journal article
Language
en
Open access
green

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CoChat. (2026). Citation check: A comprehensive modeling study of hydrogen oxidation. https://app.cochat.ai/papers/10.1002/kin.20036
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Ó Conaire, M., Curran, H. J., Simmie, J. M., Pitz, W. J., & Westbrook, C. K. (2004). A comprehensive modeling study of hydrogen oxidation. International Journal of Chemical Kinetics. https://doi.org/10.1002/kin.20036

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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).

Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.