Experimental and kinetic modeling study of 1-hexene combustion at various pressures

The pyrolysis of 1-hexene was studied in a flow reactor by synchrotron vacuum ultraviolet photoionization mass spectrometry and gas chromatography combined with mass spectrometry at 0.04, 0.2, and 1 atm. Laminar flame speeds of 1-hexene/air mixtures at various pressures (1, 2, 5, and 10 atm) were measured at an initial temperature of 373 K and equivalence ratios from 0.7 to 1.5. A kinetic model of 1-hexene combustion with 122 species and 919 reactions was developed to investigate the key pathways in the decomposition of 1-hexene and the formation and consumption of products, as well as the chemical kinetic effects on the laminar flame propagation. The presence of double bond in 1-hexene molecule leads to the enhanced formation of resonantly stabilized radicals and unsaturated intermediates. The model was also validated against the experimental data of 1-hexene combustion from literature, including ignition delay times and species profiles in jet -stirred reactor oxidation and laminar premixed flames. The extensive validations demonstrate the applicability of the present model over a wide range of conditions, such as low to high pressures, intermediate to high temperatures, and pyrolysis to oxidation circumstances. (C) 2016 The Combustion Institute. Published by Elsevier Inc All rights reserved.