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

For the first time. a detailed study of the gas-phase oxidation of n-hexade cane (C16H34), a diesel fuel surrogate, is reported. The experiments were p erformed 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 pro files as a function of temperature were obtained for molecular species (rea ctants. intermediates and final products) via sonic quartz probe sampling a nd on-line/off-line gas chromatography analyses. These measurements were us ed to validate a detailed kinetic reaction mechanism consisting of 242 spec ies and 1801 reactions. Overall. the modeling is in very good agreement wit h the experimental measurements. Analyses of sensitivity and of reaction pa ths were used to interpret the results. (C) 2001 by The Combustion Institut e.