Kinetics of oxidation of cyclohexanone in a jet-stirred reactor: Experimental and modeling

The kinetics of oxidation of cyclohexanone (CAS 108-94-1) was studied experimentally in a fused silica jet stirred reactor (JSR) for the first time. The experiments were performed in the temperature range 5301220 K, at an operating pressure of 10 atm, for equivalence ratios ranging from 0.5 to 4, and with an initial fuel concentration of 1000 ppm (phi = 0.5, 1.0 and 2.0) and 1500 ppm (phi = 4.0). Concentration profiles of reactants, stable intermediates and products were measured at fixed residence time and variable temperature by gas chromatography (GC) and Fourier transform infrared spectroscopy (FTIR) after sonic probe sampling. Cyclic intermediates experimentally observed include, 2-cyclohexen-1-one, cyclopentene, cyclopentadiene and aromatics such as benzene and toluene, the latter in trace amounts only for rich mixtures. The experimental data were used to validate a detailed kinetic reaction mechanism. A reasonable agreement between the present experimental results and the computations was observed. Kinetic analyses (sensitivity and reaction paths) were used to interpret the results. (C) 2014 The Combustion Institute. Published by Elsevier Inc. All rights reserved.