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Abstract

Reliable and compact chemical mechanisms of fuels are crucial for combustion modeling. To develop skeletal/reduced mechanisms for practical and blended hydrocarbon fuels, the decoupling methodology was proposed by integrating an extremely simplified model for the C4–Cn sub-mechanism for predicting the ignition characteristics, a detailed sub-mechanism of H2/CO/C1 for providing accurate information on flame propagation and heat release, and a reduced C2–C3 sub-mechanism. The construction of skeletal chemical mechanisms for various hydrocarbon fuels and their blends can be efficiently realized by only introducing the skeletal fuel-specific sub-mechanism. The validation results indicate that the skeletal chemical constructed using the decoupling methodology can satisfactorily reproduce ignition time, heat release rate, species concentrations, and flame speed under wide operating conditions in both fundamental reactors and practical engines. This presentation will provide the fundamental basis of the decoupling methodology, the construction of the skeletal sub-mechanism using the reaction class-based global sensitivity analysis (RC-GSA), the uncertainty quantification and optimization of the reaction rate constants in the fuel-related sub-mechanism, and the derivation of the skeletal chemical mechanism for the fuels with similar molecular structure.