A shock tube study of C4–C6 straight chain alkenes+ OH reactions

F. Khaled, J. Badra, A. Farooq
Proceedings of the Combustion Institute, (2016)

A shock tube study of C4–C6 straight chain alkenes+ OH reactions

Keywords

Alkenes, Hydroxyl radicals, Rate coefficients, Shock tube

Abstract

​Alkenes are known to be good octane boosters and they are major components of commercial fuels. Detailed theoretical calculations and direct kinetic measurements of elementary reactions of alkenes with combustion radicals are scarce for C4 alkenes and they are practically absent for C5 and larger alkenes. The overall rate coefficients for the reaction of OH radical with 1-butene (CH2double bond; length as m-dashCHsingle bondCH2single bondCH3, kI), 1-pentene (CH2double bond; length as m-dashCHsingle bondCH2single bondCH2-CH3, kII), cis/trans 2-pentene (CH3single bondCHdouble bond; length as m-dashCHsingle bondCH2single bondCH3, kIII and kIV), 1-hexene (CH2double bond; length as m-dashCHsingle bondCH2single bondCH2single bondCH2single bondCH3, kV) and cis/trans 2-hexene (CH3single bondCHdouble bond; length as m-dashCHsingle bondCH2single bondCH2single bondCH3, kVI and kVII) were measured behind reflected shock waves over the temperature range of 833–1377 K and pressures near 1.5 atm. The reaction progress was followed by measuring mole fraction of OH radicals near 306.7 nm using UV laser absorption technique. It is found that the rate coefficients of OH + trans-2-alkenes are larger than those of OH + cis-2-alkenes, followed by OH + 1-alkenes.

Code

DOI: 10.1016/j.proci.2016.06.029

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