Reduced Chemical Kinetic Reaction Mechanism for JP-10-Air Combustion

A new
chemical kinetic reaction mechanism for JP-10-air combustion
is presented. The mechanism builds on a previously presented modular-based
development technique, and the final reaction mechanism, consisting
of 30 species and 77 irreversible reactions, is developed to accurately
predict key flame parameters. The mechanism is also developed to be
small enough to be used in finite rate chemistry combustion large
eddy simulations (LESs), direct numerical simulations (DNSs), and
in Reynolds Average Navier–Stokes (RANS) simulations. The (well-proven)
development technique uses a fuel breakdown oxidation submechanism,
a simplified C2 intermediate species submechanism, and
a more detailed set of reactions for the H/C1/O chemistry.
The presented mechanism is validated against the experimental data
and compared to skeletal and detailed reaction mechanisms for a range
of C10 fuels. To broaden the validation, two additional
C10 fuel molecules other than JP-10 are included, together
with the reaction mechanisms for those two fuels. All reaction mechanisms
are evaluated for combustion parameters related to flame propagation
and ignition over a wide range of equivalence ratios, gas temperatures,
and pressure conditions. The presented reaction mechanism is in good
agreement with the experimental data for all target parameters. The
proposed reaction mechanism is the only JP-10-air reaction mechanism
capable of predicting a possible negative temperature coefficient
behavior of the ignition delay time, a behavior expected from most
large hydrocarbon fuels. The mechanism manages this using far fewer
species and reactions than the other mechanisms tested, enabling its
use in combustion computational fluid dynamic (CFD) simulations.