Influence of the double bond position on the oxidation of decene isomers at high pressures and temperatures.

High pressure, single pulse shock tube oxidation experiments were conducted in order to probe the chemical kinetic effects of the double bond position in long alkenes. All oxidation experiments were carried out with approximately 100 ppm of 1-decene, cis-2-decene, cis-5-decene, and trans-5-decene, in argon, at stoichiometric conditions. The experimental conditions covered the pressure range of 40–66 bar and temperature range of 850–1500 K, with an average reaction time of 2 ms. Gas chromatographic measurements of the stable intermediates indicated increased reactivity for the isomers with more centrally located double bonds, with no influence from the cis–trans configuration observed at these conditions. Significantly different yields in most of the intermediate species measured were observed. Chemical kinetic models were assembled with the aid of Reaction Mechanism Generator where these are able to adequately predict the major product species of all isomers investigated. Simulation of the experiments indicates significantly different reaction pathways that each decene isomers undergoes, controlled entirely by the position of the double bond. The implication for fuels with such molecular structure is that reactivity, as well as pollutant formation characteristics can be significantly different depending on the position of the double bond in very similar molecules. [ABSTRACT FROM AUTHOR]