Wide-range kinetic modeling study of the pyrolysis, partial oxidation, and combustion of heavy n-alkanes

The main goal of this paper is the extension of a general semidetailed kinetic scheme of hydrocarbon oxidation to heavy fuels. Taking previous n-pentane and n-heptane kinetic modeling experience a step further, a lumped approach was systematically applied to n-decane, n-dodecane, and n-hexadecane. These semidetailed submodels for higher n-alkanes are directly derived from the complete set of primary propagation reactions, automatically generated by the MAMOX++ program on the basis of a small set of reference kinetic parameters. This proposed approach and lumped model are supported by a wide range of comparisons with a large variety of experimental measurements relating to stirred and flow reactors, premixed and diffusion flames, and fuel droplet combustion under microgravity conditions. The general agreement obtained in the overall range of conditions further confirms and supports the soundness of the small set of kinetic parameters used as reference values for the different classes of the primary propagation reactions of alkanes. This analysis demonstrates that heavy n-alkanes display the same kinetic behavior in both the high- and the low-temperature regions, thus allowing a direct extension of the overall kinetic scheme. The limitations and the advantages of the lumped approach as compared to detailed kinetic schemes are also discussed.