Products from the Oxidation of Linear Isomers of Hexene

Frédérique Battin-Leclerc (1) , Anne Rodriguez (1) , Benoit Husson (1) , Olivier Herbinet (1) , Pierre Alexandre Glaude (1) , Zhandong Wang (2) , Zhanjun Cheng (2) , Fei Qi (2)

1 LRGP - Laboratoire Réactions et Génie des Procédés
2 NSRL - National Synchrotron Radiation Laboratory

The experimental study of the oxidation of the three linear isomers of hexene was performed in a quartz isothermal jet stirred reactor (JSR) at temperatures ranging from 500 to 1100 K including the negative temperature coefficient (NTC) zone, at quasi-atmospheric pressure (1.07 bar), at a residence time of 2 s and with dilute stoichiometric mixtures. The fuel and reaction product mole fractions were measured using online gas chromatography. In the case of 1-hexene, the JSR has also been coupled through a molecular-beam sampling system to a reflectron time-of-flight mass spectrometer combined with tunable synchrotron vacuum ultraviolet photoionization. A difference of reactivity between the three fuels which varies with the temperature range has been observed and is discussed according to the changes in the possible reaction pathways when the double bond is displaced. An enhanced importance of the reactions via the Waddington mechanism and of those of allylic radicals with HO2 radicals can be noted for 2- and 3-hexenes compared to 1-hexene.

Mots clés: Jet-stirred reactor; linear isomers of hexene; low-temperature oxidation; alkene oxidation; hydroxycyclic ethers; unsaturated hydroperoxides

Domaines: Chimie théorique et/ou physique

Frédérique Battin-Leclerc, Anne Rodriguez, Benoit Husson, Olivier Herbinet, Pierre Alexandre Glaude, et al.. Products from the Oxidation of Linear Isomers of Hexene. Journal of Physical Chemistry A, 2014, 118, pp.673-683. ⟨10.1021/jp4107102⟩. ⟨hal-01022632⟩