A high pressure model for the oxidation of toluene

A detailed chemical kinetic model has been developed to predict the oxidation of toluene in the high temperature regime (1200-1500 K) over wide pressure ranges (25-610 bar) based on experimental data obtained in the high pressure single pulse shock tube at the University of Illinois at Chicago. The experimental data were obtained at pressures of 25, 50, and 610 bar over the temperature range from 1210 to 1480 K for stoichiometries of Phi = 1 and Phi = 5. The proposed model is derived from an earlier literature model for toluene oxidation that had been validated against experimental data obtained at 1 atm and at lower temperatures (< 1200 K). The new model provides a good fit to all the experimental data for stoichiometric oxidation but provides a less satisfactory fit to the Phi = 5 (fuel-rich) data set and forms the first step in the development of a more comprehensive model for toluene combustion for fuel-rich oxidation and pyrolysis. (c) 2004 The Combustion Institute. Published by Elsevier Inc. All rights reserved.