Experimental and modeling study of the oxidation of 1-pentene at high temperature

Ignition delay times of 1-pentene–oxygen–argon mixtures have been measured behind shock wave, the onset of ignition being detected by OH radical emission. Mixtures contained 1 or 2% of hydrocarbon for equivalence ratios ranging from 0.5 to 2. Reflected shock waves allowed temperatures from 1130 to 1620 K and pressures from 7.3 to 9.5 atm to be obtained. A detailed mechanism of combustion of 1-pentene has been automatically generated using EXGAS software. This mechanism has been validated by comparing the results of the simulations to the experimental ignition delay times. The main reaction pathways have been derived from flow rate and sensitivity analyses at different temperatures. Comparisons with 1-butene and 1-hexene in the same conditions show that 1-pentene has a higher reactivity which seems to be due to its decomposition to give ethyl radicals, which rapidly yields very reactive hydrogen atoms, while the decomposition of 1-butene and 1-hexene leads to less reactive methyl radicals. © 2005 Wiley Periodicals, Inc. Int J Chem Kinet 37: 451–463, 2005