A new reduced reaction mechanism of the surrogate fuel for RP-3 kerosene.

By combining the reaction class-based global sensitivity analysis (RC-GSA) methodology, species sensitivity analysis (SSA) methodology, decoupling method and genetic algorithm (GA), a reduced reaction mechanism of the surrogate fuel (10% n -dodecane/14% n -decane/30% isohexadecane/36% methylcyclohexane/10% toluene, in mole fraction) for RP-3 kerosene was constructed. As an example, the detailed construction process of skeleton mechanism of methylcyclohexane (MCH) was presented, and the skeleton mechanism constructions of other components in the surrogate fuel were similar to that of MCH. First, the dominant reaction classes in the fuel-relevant mechanism of MCH were recognized by the RC-GSA, the representative species in each retained reaction classes were selected by the SSA, and the skeleton fuel-relevant mechanism of MCH was developed. Second, through combining the skeleton fuel-relevant mechanism of MCH with the reduced reaction mechanism of C 0 -C 3 by the decoupling method, the initial skeleton mechanism of MCH was obtained. Third, based on the GA, the rate constants of fuel-relevant reactions in the initial skeleton mechanism of MCH were optimized to enhance the prediction performance. Finally, by coupling the skeleton reaction mechanisms of n -dodecane, n -decane, toluene, isohexadecane, MCH, and the reduced reaction mechanism of C0-C3, a reduced mechanism (containing 121 species and 469 reactions) of the surrogate fuel for RP-3 kerosene was formed. The predicted main species concentrations during the oxidation process in the jet-stirred reactor, the ignition delay times in the shock tube and laminar flame speeds in the constant volume bomb by this reduced mechanism are in good agreement with the corresponding experimental data of RP-3 kerosene. [ABSTRACT FROM AUTHOR]