Simplified Reaction Scheme of Hydrocarbon Fuels and Its Application to Autoignition of n-Heptane

탄화수소계 연료의 축소반응모텔과 노말-헵탄(n-Heptane)의 자발화 현상

  • Published : 2002.01.01

Abstract

Mathematically and chemically simplified reaction scheme for n(heptane that simulates autoignitions of the end gases in spark ignition engines has been developed and studied computationally. The five(equation model is described, to predict the essential features of hydrocarbon oxidation. This scheme has been calibrated against autoignition delay times measured in rapid compression machines. The rate constants, activation temperatures, Ta, Arrhenius pre-exponential constants, A, and heats of reaction for stoichiometric nheptane/air has all been optimized. Comparisons between computed and experimental autoignition delay times have validated the present simplified reaction scheme. The influences of heat loss and concentration of chain carrier at the beginning of compression upon autoignition delay times have been computationally investigated.

Keywords

References

  1. D. Bradley, G. T. Kalghatgi, C. Morley, P. Snowdon, J. Yeo, 'Gas Temperature Measurement and Cyclic Dispersion of Knock in Spark Ignition Engine,' 25th Symposium (Int.) on Combustion, the Combustion Institute, Pittsburgh, 1994
  2. J. Wamatz, 'Resolution of Gas Phase and Surface Combustion Chemistry into Elementary Reactions,' Invited Lecture, Twenty-Fourth Symposium (Int.) on Combustion, the Combustion Institute, Pittsburgh, p.553, 1992
  3. T. Lucht, R. E. Teets, R. M. Green, R. E. Palmer, C. R. Fergurson, 'Unburned Gas Temperature in an Internal Combustion Engine: CARS Temperature Measurement,' Comb. Sci. Tech, Vol.55, p.41, 1987 https://doi.org/10.1080/00102208708947070
  4. J. F. Griffiths, S. M. Hasko, 'Two Stage Ignitions during Rapid Compression: Spontaneous Combustion in Lean Fuel/Air Mixture,' Proc. R, Soc., London, Vol.A393, p.371, 1983
  5. W. S. Affleck, A. Fish, 'Knock : Flame Acceleration or Spontaneous Ignition?,' Combust. and Flame, Vol.12, p.243, 1968 https://doi.org/10.1016/0010-2180(68)90021-7
  6. R. Minetii, M. Ribaucour, L. R. Sochet, 'Collection of Global Reaction Kinetic Data for High C Fuels,' Fifth Report, Gas/Surface Interactions and Damaging Mechanism in Knocking Combustion, CEC contract J0UE-0028-D (MB), 1992
  7. W. J. Pitz, C. K. Westbrook, 'Chemical Kinetics of the High Pressure Oxidation of n-butane and its Relation to Engine Knock,' Combust. and Flame, Vol.63, p.113, 1986 https://doi.org/10.1016/0010-2180(86)90115-X
  8. W. J. Pitz, C. K. Westbrook, W. M. Proscia, F. L. Dryer, 'A Comprehensive Chemical Kinetic Reaction Mechanism for the Oxidation of n-butane and its Relation to Engine Knock,' Twentieth Symposium (Int.) on Combustion, the Combustion Institute, Pittsburgh, p.831. 1986
  9. J. Warnatz, 'The Mechanism of High Temperature Combustion of Propane and Propene,' Combust. Sci. Tech., Vol.34, p.177, 1983 https://doi.org/10.1080/00102208308923692
  10. B. F. Gray, C. H. Yang, 'On the Unification of the Thermal and Chain Theories of Explosion Limits,' J. Phys. Chem., Vol.69, p.2747, 1965 https://doi.org/10.1021/j100892a044
  11. M. P. Halstead, L. J. Kirsch, C. P. Quinn, 'The Autoignition of Hydrocarbons Fuels at High Temperatures and Pressures - Fitting of a Mathematical Model,' Combust. and Flame. Vol.30, p.45, 1977 https://doi.org/10.1016/0010-2180(77)90050-5
  12. J. F. Griffiths, 'Kinetic Fundamentals of Alkane Autoignition at Low Temperatures,' Combust. and Flame, Vol.93, p.202, 1993 https://doi.org/10.1016/0010-2180(93)90092-H
  13. 김형욱, 배상수, 민경덕, '축소 화학반응 모델링에 의한 탄화수소 연료의 점화지연 특성,' 한국자동차공학회 논문집, 제9권 제4호, p.44, 2001
  14. J. Yeo, 'Autoignition in Gasoline Engines,' Ph D Thesis, Leeds University, 1994
  15. F. D. Dryer, 'The Phenomenology of Modelling Combustion Chemistry,' Fossil Fuel Combustion, Wiley, New York, p.121, 19913