Development of a New Skeletal Chemical Kinetic Model of Toluene Reference Fuel with Application to Gasoline Surrogate Fuels for Computational Fluid Dynamics Engine Simulation

Abstract

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