Experimental and kinetic modeling study of n-pentanol pyrolysis and combustion.

The flow reactor pyrolysis of n -pentanol at 30, 150, and 760 Torr and laminar premixed flames of n -pentanol with equivalence ratios of 0.7 and 1.8 at 30 Torr are investigated using the synchrotron vacuum ultraviolet photoionization mass spectrometry (SVUV-PIMS). The pyrolysis products and flame species are identified and the mole fraction profiles are measured. A detailed kinetic model of n -pentanol is developed and validated on the new experimental results. The C–C bond dissociation reactions play a significant role in the pyrolysis of n -pentanol. The contribution of the water elimination reaction becomes less important in the pyrolysis of n -pentanol than in the pyrolysis of n -butanol. Olefins and C n H 2 n O species are found to be the two major product families in the pyrolysis and combustion of n -pentanol, and specific products are also observed for most of the H-atom abstraction reactions of n -pentanol. The model is further validated on the experimental data of n -pentanol combustion in literature, including the species profiles in jet-stirred reactor oxidation, the laminar flame speeds and ignition delay times. [ABSTRACT FROM AUTHOR]