The gas-phase oxidation of n-hexadecane

Since n-hexadecane or cetane is a reference fuel for the estimation of ceta ne numbers in diesel engines, a detailed chemical model of its gas-phase ox idation and combustion will help to enhance diesel performance and reduce t he emission of pollutants at their outlet. However, until recently the gas- phase reactions of n-hexadecane had not been experimentally studied, prohib iting a validation of oxidation models which could be written. This paper p resents a modeling study of the oxidation of n-hexadecane based on experime nts performed in a jet-stirred reactor, at temperatures ranging from 1000 t o 1250 K, 1-atm pressure, a constant mean residence time of 0.07 s, and hig h degree of nitrogen dilution (0.03 mol% of fuel) for equivalence ratios eq ual to 0.5, 1, and 1.5 A detailed kinetic mechanism was automatically gener ated by using the computer package (EXGAS) developed in Nancy. The long lin ear chain of this alkane necessitates the use of a detailed secondary mecha nism for the consumption of the alkenes formed as a result of primary paren t fuel decomposition, This high-temperature mechanism includes 1787 reactio ns and 265 species, featuring satisfactory agreement for both the consumpti on of reactants and the formation of products. (C) 2001 John Wiley & Sons, Inc.