COMPARISON OF DIFFERENT CHEMICAL KINETIC MECHANISMS OF METHANE COMBUSTION IN AN INTERNAL COMBUSTION ENGINE CONFIGURATION

Abstract

Three chemical kinetic mechanisms of methane combustion were tested and compared using the internal combustion engine model of Chemkin 4.02 [1]: one-step global reaction mechanism, four-step mechanism, and the standard detailed scheme GRIMECH 3.0. This study shows good concordances, especially between the four-step and the detailed mechanisms in the prediction of temperature and main species profiles. But reduced schemes were incapables to predict pollutant emissions in an internal combustion engine. The four-step mechanism can only predict CO emissions but without good agreement.

Keywords

Dates

  • Submission Date2006-12-18
  • Revision Date2007-05-21
  • Acceptance Date2008-02-12

DOI Reference

10.2298/TSCI0801043E

References

  1. Kee, R. J., et al., CHEMKIN Release 4.0.2, Reaction Design, San Diego, Cal., USA, 2005
  2. Montgomery, C. J., et al., Reduced Chemical Kinetic Mechanisms for Hydrocarbon Fuels, Journal of Propulsion Power, 18 (2002), 1, pp. 192-198
  3. Peters, N., Rogg, B., Reduced Kinetic Mechanisms for Applications in Combustion Systems, Lecture Notes in Physics, 15 (1993), 1, pp. 1-13
  4. Smooke, M. D., Giovangigli, V., Reduced Kinetic Mechanisms and Asymptotic Approximations for Methane-Air Flames, Lecture Notes in Physics, 384 (1991), 2, pp. 29-47
  5. Magel, H. C., Schnell, H., Hein, K. R. C., Simulation of Detailed Chemistry in a Turbulent Combustion Flow, Proceedings, 26th Symposium (International) on Combustion, Neapel, Italy, 1996, The Combustion Institute, Pittsburgh, Penn., USA, 1997, pp. 67-74
  6. Westbrook, C. K., Applying Chemical Kinetics to Natural Gas Combustion Problems, Report No. PB-86-168770/XAB, Lawrence Livermore National Laboratory, Livermore, Cal., USA, 1985
  7. Glarborg, P., Miller, J. A., Kee, R. J., Kinetic Modelling and Sensitivity Analysis of Nitrogen Oxide Formation in Well Stirred Reactors, Combustion and Flame, 65 (1986), 2, pp. 177-202
  8. Miller, J. A., Bowman, C. T., Mechanism and Modeling of Nitrogen Chemistry in Combustion, Progress in Energy and Combustion Sciences, 15 (1989), 4, pp. 287-338
  9. Konnov, A. A., Detailed Reaction Mechanism for Small Hydrocarbons Combustion, Release 0.5, 2000, http://homepages.vub.ac.be/~akonnov/
  10. Hughes, K. J., et. al., Development and Testing of a Comprehensive Chemical Mechanism for the Oxidation of Methane, International Journal of Chemical Kinetics, 33 (2001), 9, pp. 515-538
  11. Smith G. P., et al., GRIMESH 3.0, http://www.me.berkeley.edu/gri_mech
  12. Westbrook, C. K., Dryer, F. L., Simplified Reaction Mechanisms for the Oxidation of Hydro-Carbon Fuels in Flames, Combustion Sciences and Technologies, 27 (1981), 1-2, pp. 31-43
  13. Duterque, J., et al., Study of Quasi-Global Schemes for Hydrocarbon Combustion, Combustion Sciences and Technologies, 26 (1981), 1-2, pp. 1-15
  14. Peters, N., Numerical and Asymptotic Analysis of Systematically Reduced Reaction Schemes for Hydrocarbon Flames, Lecture Notes in Physics, Numerical Simulation of Combustion Phenomena, 241 (1985), pp. 90-109
  15. Hautmann, D. J., et al., A Multiple-Step Overall Kinetic Mechanism for the Oxidation of Hydrocarbons, Combustion Sciences and Technologies, 25 (1981), pp. 219-235
  16. Jones, W. P., Lindstedt, R. P., Global Reaction Schemes for Hydrocarbon Combustion, Combustion and Flame, 73 (1988), 3, pp. 233-249
  17. Edelman, R. B., Fortune, O. F., A Quasi-Global Chemical Kinetic Model for the Finite Rate Combustion of Hydrocarbon Fuels with Application to Turbulent Burning and Mixing in Hypersonic Engines and Nozzles, American Institute of Aeronautics and Astronautics,1969, pp. 69-86
  18. Edelman, R. B., Harsha, P. T., Laminar and Turbulent Gas Dynamic in Combustors - Current Status, Progress in Energy and Combustion Sciences, 4 (1978), pp. 1-62
  19. ***, Reaction Design, Theory Manual, Chemkin Software, 2004
  20. Heywood, J. B., Internal Combustion Engines Fundamentals, McGraw-Hill, Science/Engineering/Math, New York, USA, 1988
Volume 12, Issue 1, Pages43 -51