W. H. Yuan, Y. Y. Li, P. Dagaut, J. Z. Yang and F. Qi (2015) Investigation on the pyrolysis and oxidation of toluene over a wide range conditions. II. A comprehensive kinetic modeling study. Journal/Combustion And Flame 162 22-40. [In English]
Web link: http://dx.doi.org/10.1016/j.combustflame.2014.07.011
Keywords: Toluene, Kinetic model, Pyrolysis, Oxidation, LAMINAR FLAME SPEEDS, POLYCYCLIC AROMATIC-HYDROCARBONS, INITIO, MO/STATISTICAL THEORY, HIGH-TEMPERATURE OXIDATION, HIGH-PRESSURE, PYROLYSIS, SHOCK-TUBE, THERMAL-DECOMPOSITION, UNIMOLECULAR, ISOMERIZATION/DECOMPOSITION, BENZYL DECOMPOSITION, CYCLOPENTADIENE
Abstract: The flow reactor pyrolysis of toluene from low to atmospheric pressures and jet stirred reactor oxidation of toluene at high pressure have been studied in Part I of this serial work. The targets in this part are to collect and review the experimental data of toluene pyrolysis and oxidation reported in recent years, and validate the kinetic model of toluene combustion developed in Part I. The vast amount of data used in this work mainly include species profiles in shock tube pyrolysis and oxidation, flow reactor oxidation and low pressure premixed laminar flames, and global combustion parameters such as ignition delay times and laminar flame speeds. Along with the validation of new pyrolysis and oxidation data in Part I, a wide range of conditions from low to high temperatures, subatmospheric to high pressures, very lean to pyrolysis conditions were validated in this work. The satisfactory reproduction of these data demonstrates that the present model can be used in combustion simulation of surrogate fuels containing toluene and as a reliable basis to develop kinetic models of large alkylbenzenes and bicyclic aromatics. (C) 2014 The Combustion Institute. Published by Elsevier Inc. All rights reserved.

 ,