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

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journal contribution
posted on 2020-11-26, 17:34 authored by N. Zettervall
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.