Kinetic study of n‐heptane oxidation

The oxidation of n-heptane has been studied in a jet-stirred flow reactor in the temperature range 950–1200 K at atmospheric pressure for a wide range of fuel-oxygen equivalence ratios (0.2 to 2.0). A chemical kinetic reaction mechanism developed from previous studies on smaller hydrocarbons and extended to C6 and C7 species was used to reproduce the experimental data. Good agreement between computed and measured concentrations of major chemical species was obtained for the entire range of experimental conditions. Sensitivity analyses were carried out to identify the reactions having the greatest influence on the modeling results. The major reaction paths for n-heptane consumption and for the formation of the main products have been identified. In addition n-heptane ignition delays behind a reflected shock wave measured by other investigators were used to validate the present reaction mechanism at higher temperature and pressure.

[1]  P. Dagaut,et al.  Kinetic modeling of propane oxidation , 1987 .

[2]  C. Westbrook,et al.  Kinetic modeling of autoignition of higher hydrocarbons: n-heptane, n-octane and iso-octane , 1986 .

[3]  P. Dagaut,et al.  Propyne Oxidation: A Kinetic Modeling Study , 1990 .

[4]  Edward R. Ritter,et al.  THERM: THERMODYNAMIC PROPERTY ESTIMATION FOR GAS PHASE RADICALS and MOLECULES , 1991, Proceeding of Data For Discovery.

[5]  A. K. Oppenheim,et al.  Auto-ignition of hydrocarbons behind reflected shock waves , 1972 .

[6]  P. Dagaut,et al.  Ethylene pyrolysis and oxidation: A kinetic modeling study , 1990 .

[7]  P. Dagaut,et al.  Kinetic modeling of ethylene oxidation , 1988 .

[8]  M. Cathonnet,et al.  KINETIC STUDY OFN-BUTANE OXIDATION , 1989 .

[9]  G. Levinson High temperature preflame reactions of n-heptane , 1965 .

[10]  P. Dagaut,et al.  Kinetics of ethane oxidation , 1991 .

[11]  Ja Jacques Rijks,et al.  Steam cracking of hydrocarbons 1. Pyrolysis of heptane , 1979 .

[12]  P. Dagaut,et al.  Experimental study and kinetic modeling of propene oxidation in a jet stirred flow reactor , 1988 .

[13]  M. Cathonnet,et al.  Kinetic study of N-pentane oxidation , 1991 .

[14]  Robert Shaw,et al.  A compilation of kinetic parameters for the thermal degradation of n‐alkane molecules , 1980 .

[15]  E. Reverchon,et al.  Dynamics of n-heptane and i-octane combustion processes in a jet stirred flow reactor operated under pressure , 1986 .

[16]  Wing Tsang,et al.  Pyrolysis of 2,4-dimethylhexene-l and the stability of isobutenyl radicals , 1973 .

[17]  J. Warnatz,et al.  Automatic generation of reaction mechanisms for the description of the oxidation of higher hydrocarbons , 1990 .