Show simple item record

dc.contributor.authorBadra, Jihad
dc.contributor.authorKHALED, Fethi
dc.contributor.authorGiri, Binod
dc.contributor.authorFarooq, Aamir
dc.date.accessioned2015-03-30T06:35:03Z
dc.date.available2015-03-30T06:35:03Z
dc.date.issued2015
dc.identifier.citationA shock tube study of the branching ratios of propene + OH reaction 2015, 17 (4):2421 Phys. Chem. Chem. Phys.
dc.identifier.issn1463-9076
dc.identifier.issn1463-9084
dc.identifier.doi10.1039/C4CP04322G
dc.identifier.doi10.1039/c5cp90156a
dc.identifier.urihttp://hdl.handle.net/10754/347280
dc.description.abstractAbsolute rate coefficients for the reaction of the OH radical with propene (C3H6) and five deuterated isotopes, propene-1-D1 (CDHCHCH3), propene-1,1-D2 (CD2CHCH3), propene-1,1,2-D3 (CD2CDCH3), propene-3,3,3-D3 (CH2CHCD3), and propene-D6 (C3D6), were measured behind reflected shock waves over the temperature range of 818-1460 K and pressures near 1 atm. The reaction progress was followed by monitoring the OH radical near 306.7 nm using UV laser absorption. Kinetic isotope effects in the measured rate coefficients are discussed and rationalized for the site-specific H-abstraction by the OH radical. The first experimental measurements for the branching ratio of the title reaction are reported and compared with transition state theory calculations. The allylic H-atom abstraction of propene by OH radicals was found to be the most dominant reaction pathway followed by propen-1-yl and propen-2-yl channels over the entire temperature range of this study. The derived Arrhenius expressions for various site-specific rate coefficients over 818-1442 K are (the subscript in the rate coefficient identifies the position of H or D atom according to the IUPAC nomenclature of alkenes):k3,H = 2.32 × 10-11 exp(-2341 K/T) cm3 molecule-1 s-1k3,D = 1.96 × 10-11 exp(-2420 K/T) cm3 molecule-1 s-1k1,H = 1.39 × 10-11 exp(-2270 K/T) cm3 molecule-1 s-1k1,D = 1.95 × 10-11 exp(-2868 K/T) cm3 molecule-1 s-1k2,H = 7.2 × 10-12 exp(-2282 K/T) cm3 molecule-1 s-1k2,D = 7.69 × 10-12 exp(-2575 K/T) cm3 molecule-1 s-1 This journal is
dc.publisherRoyal Society of Chemistry (RSC)
dc.relation.urlhttp://xlink.rsc.org/?DOI=C4CP04322G
dc.rightsArchived with thanks to Phys. Chem. Chem. Phys. © Royal Society of Chemistry 2015
dc.titleA shock tube study of the branching ratios of propene + OH reaction
dc.typeArticle
dc.contributor.departmentChemical Kinetics & Laser Sensors Laboratory
dc.contributor.departmentClean Combustion Research Center
dc.contributor.departmentMechanical Engineering Program
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalPhys. Chem. Chem. Phys.
dc.eprint.versionPost-print
dc.contributor.institutionSaudi Aramco Research and Development Center, Fuel Technology R&D Division, Dhahran 31311, Saudi Arabia
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)
kaust.personBadra, Jihad
kaust.personGiri, Binod
kaust.personFarooq, Aamir
kaust.personKhaled, Fathi
refterms.dateFOA2015-12-01T00:00:00Z


Files in this item

Thumbnail
Name:
Badra-Propene+OH-Manuscript- revision V17.pdf
Size:
9.242Mb
Format:
PDF
Description:
Accepted Manuscript
Thumbnail
Name:
c5cp90156a.pdf
Size:
1.268Mb
Format:
PDF
Description:
Correction

This item appears in the following Collection(s)

Show simple item record