The oxidation of n-hexadecane: Experimental and detailed kinetic modeling

For the first time. a detailed study of the gas-phase oxidation of n-hexadecane (C16H34), a diesel fuel surrogate, is reported. The experiments were performed in a jet-stirred reactor at 1 atm, over the temperature range 1000 to 1250 K and for equivalence ratios of 0.5, 1, and 1.5. Mole fraction profiles as a function of temperature were obtained for molecular species (reactants. intermediates and final products) via sonic quartz probe sampling and on-line/off-line gas chromatography analyses. These measurements were used to validate a detailed kinetic reaction mechanism consisting of 242 species and 1801 reactions. Overall. the modeling is in very good agreement with the experimental measurements. Analyses of sensitivity and of reaction paths were used to interpret the results. (C) 2001 by The Combustion Institute.