Chemical kinetic modeling study of shock tube ignition of heptane isomers

Citation
Ck. Westbrook et al., Chemical kinetic modeling study of shock tube ignition of heptane isomers, INT J CH K, 33(12), 2001, pp. 868-877
Citations number
34
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
INTERNATIONAL JOURNAL OF CHEMICAL KINETICS
ISSN journal
05388066 → ACNP
Volume
33
Issue
12
Year of publication
2001
Pages
868 - 877
Database
ISI
SICI code
0538-8066(200112)33:12<868:CKMSOS>2.0.ZU;2-W
Abstract
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.