A semidecoupling methodology for developing skeletal chemical kinetic models is presented and applied to construct an enhanced skeletal model for PRF (primary reference fuel) oxidation, which consists of 41 species and 124 reactions. The basic idea and the semidecoupling methodology are to consider the oxidation mechanism of alkane as two parts: a comprehensive part to describe detailed reaction processes of C0−C1 radicals and molecules as the 'core' and a skeletal part that couples the 'core' to control the ignition characteristics. Accounting for the major weakness in the existing skeletal models for PRF oxidation, the enhancement on the new skeletal model mainly focuses on the laminar flame speed and important species evolution while maintaining the precise ignition delay prediction of the previous models. The new PRF skeletal model is validated against various experimental data including shock tube, jet-stirred reactor, flow reactor, premixed laminar flame speed, and internal combustion engines over a wide range of temperatures, pressures, and equivalence ratios. The results show good agreement with the experimental data, indicating that the semidecoupling methodology and the new skeletal model are promising for various reactors and engine applications incorporated with a multidimensional computational fluid dynamics (CFD) model.

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On the basis of our recent experience in developing a skeletal chemical kinetic model of primary reference fuel (PRF) with a semi-decoupling methodology, a new general and compact skeletal model of toluene reference fuels (TRF) consisting of 56 species and 168 reactions is presented for the oxidation of gasoline surrogate fuels. The skeletal submodel of toluene is added to the PRF model using reaction paths and sensitivity analysis. An improvement has been made in comparison to the existing skeletal models of TRF on laminar flame speed and important species evolution, while predictions of precise ignition delay are maintained. The skeletal model in this work is validated by comparison to the experimental data in a shock tube, jet-stirred reactor, flow reactor, and premixed laminar flame speed, as well as an internal combustion engine over extensive ranges of equivalence ratio, temperature, and pressure for each single fuel component and their blends. The new skeletal model is also tested using two ternary surrogates with different compositions on shock tube, laminar flame speed, and internal combustion engine. The results indicate that the overall satisfactory agreements between the predictions and experimental data are achieved.