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

Z. Serinyel (1) , C. Togbé (1) , A. Zaras (1) , G. Dayma (1) , P. Dagaut (1, 2)

1 ICARE - Institut de Combustion, Aérothermique, Réactivité et Environnement
2 CNRS - Centre National de la Recherche Scientifique

The kinetics of oxidation of cyclohexanone (CAS 108-94-1) was studied experimentally in a fused silica jet stirred reactor (JSR). The experiments were performed in the temperature range 530-1220 K, at 10 atm, for equivalence ratios in the range 0.5 to 4, and with an initial fuel concentration of 1000 or 1500 ppm. 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 spectrometry (FTIR) after sonic probe sampling. The experiments data were used to validate a detailed kinetic reaction mechanism. A reasonable agreement between the present experimental results and the computations was observed l. Kinetic analyses (sensitivity and reaction paths) were used to rationalize the results.

Mots clés: kinetic modeling; jet-stirred reactor; cyclohexanone; oxidation

Domaines: Chimie théorique et/ou physique; Milieux fluides et réactifs

Z. Serinyel, C. Togbé, A. Zaras, G. Dayma, P. Dagaut. Kinetics of oxidation of cyclohexanone in a jet-stirred reactor: Experimental and modeling. Proceedings of the Combustion Institute, 2015, 35 (1), pp.507-514. ⟨10.1016/j.proci.2014.06.150⟩. ⟨hal-02014611⟩