High-temperature detailed chemical kinetic reaction mechanisms are develope
d for all nine chemical isomers of heptane (C7H16), following techniques an
d models developed previously for other smaller alkane hydrocarbon species.
These reaction mechanisms are tested by computing shock tube ignition dela
y times for stoichiometric heptane/oxygen mixtures diluted by argon. Althou
gh no corresponding experiments have been reported in the literature for mo
st of these isomers of heptane, intercomparisons, between the computed resu
lts for these isomers and comparisons with available experimental results f
or other alkane fuels are used to validate the reaction mechanisms as much
as possible. Differences in the overall reaction rates of these heptane iso
mers are discussed in terms of differences in their molecular structure and
the resulting variations in rates of important chain branching and termina
tion reactions. The implications of these results regarding ignition of oth
er alkane fuels are discussed. (C) 2001 John Wiley & Sons, Inc.