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

Handle URI:
http://hdl.handle.net/10754/627022
Title:
A shock tube study of C4–C6 straight chain alkenes + OH reactions
Authors:
Khaled, Fathi; Badra, Jihad; Farooq, Aamir ( 0000-0001-5296-2197 )
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 (CH CHCH CH, k ), 1-pentene (CH CHCH CH-CH, k ), cis/trans 2-pentene (CH CHCHCH CH, k and k ), 1-hexene (CH CHCH CH CH CH, k ) and cis/trans 2-hexene (CH CHCHCH CH CH, k and k ) were measured behind reflected shock waves over the temperature range of 833-1377K and pressures near 1.5atm. The reaction progress was followed by measuring mole fraction of OH radicals near 306.7nm 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. The derived Arrhenius expressions for the overall rate coefficients (in cm.mol.s) are:. kI=(4.83±0.03)104.T2.72±0.01.exp(940.8±2.9cal/molRT)(946K-1256K) + kII=(5.66±0.54)10-1.T4.14±0.80.exp(4334±227cal/molRT)(875K-1379K) + kIII=(3.25±0.12)104.T2.76±0.5.exp(1962±83cal/molRT)(877K-1336K) + kIV=(3.42±0.09)104.T2.76±0.5.exp(1995±59cal/molRT)(833K-1265K) + kV=(7.65±0.58)10-4.T5±1.exp(5840±175cal/molRT)(836K-1387K) + kVI=(2.58±0.06)106.T2.17±0.37.exp(1461±55cal/molRT)(891K-1357K) + kVII=(3.08±0.05)106.T2.18±0.37.exp(1317±38cal/molRT)(881K-1377K) +
KAUST Department:
Clean Combustion Research Center; Physical Sciences and Engineering (PSE) Division; Mechanical Engineering Program
Citation:
Khaled F, Badra J, Farooq A (2017) A shock tube study of C4–C6 straight chain alkenes + OH reactions . Proceedings of the Combustion Institute 36: 289–298. Available: http://dx.doi.org/10.1016/j.proci.2016.06.029.
Publisher:
Elsevier BV
Journal:
Proceedings of the Combustion Institute
Issue Date:
28-Jun-2016
DOI:
10.1016/j.proci.2016.06.029
Type:
Article
ISSN:
1540-7489
Sponsors:
We would like to acknowledge the funding support from Saudi Aramco under the FUELCOM program and by King Abdullah University of Science and Technology (KAUST). The authors are also thankful to Dr. Binod Raj Giri (Research Scientist at KAUST) for chemical kinetics insights and discussions.
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Mechanical Engineering Program; Clean Combustion Research Center

Full metadata record

DC FieldValue Language
dc.contributor.authorKhaled, Fathien
dc.contributor.authorBadra, Jihaden
dc.contributor.authorFarooq, Aamiren
dc.date.accessioned2018-02-01T12:01:29Z-
dc.date.available2018-02-01T12:01:29Z-
dc.date.issued2016-06-28en
dc.identifier.citationKhaled F, Badra J, Farooq A (2017) A shock tube study of C4–C6 straight chain alkenes + OH reactions . Proceedings of the Combustion Institute 36: 289–298. Available: http://dx.doi.org/10.1016/j.proci.2016.06.029.en
dc.identifier.issn1540-7489en
dc.identifier.doi10.1016/j.proci.2016.06.029en
dc.identifier.urihttp://hdl.handle.net/10754/627022-
dc.description.abstractAlkenes 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 (CH CHCH CH, k ), 1-pentene (CH CHCH CH-CH, k ), cis/trans 2-pentene (CH CHCHCH CH, k and k ), 1-hexene (CH CHCH CH CH CH, k ) and cis/trans 2-hexene (CH CHCHCH CH CH, k and k ) were measured behind reflected shock waves over the temperature range of 833-1377K and pressures near 1.5atm. The reaction progress was followed by measuring mole fraction of OH radicals near 306.7nm 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. The derived Arrhenius expressions for the overall rate coefficients (in cm.mol.s) are:. kI=(4.83±0.03)104.T2.72±0.01.exp(940.8±2.9cal/molRT)(946K-1256K) + kII=(5.66±0.54)10-1.T4.14±0.80.exp(4334±227cal/molRT)(875K-1379K) + kIII=(3.25±0.12)104.T2.76±0.5.exp(1962±83cal/molRT)(877K-1336K) + kIV=(3.42±0.09)104.T2.76±0.5.exp(1995±59cal/molRT)(833K-1265K) + kV=(7.65±0.58)10-4.T5±1.exp(5840±175cal/molRT)(836K-1387K) + kVI=(2.58±0.06)106.T2.17±0.37.exp(1461±55cal/molRT)(891K-1357K) + kVII=(3.08±0.05)106.T2.18±0.37.exp(1317±38cal/molRT)(881K-1377K) +en
dc.description.sponsorshipWe would like to acknowledge the funding support from Saudi Aramco under the FUELCOM program and by King Abdullah University of Science and Technology (KAUST). The authors are also thankful to Dr. Binod Raj Giri (Research Scientist at KAUST) for chemical kinetics insights and discussions.en
dc.publisherElsevier BVen
dc.subjectAlkenesen
dc.subjectHydroxyl radicalsen
dc.subjectRate coefficientsen
dc.subjectShock tubeen
dc.titleA shock tube study of C4–C6 straight chain alkenes + OH reactionsen
dc.typeArticleen
dc.contributor.departmentClean Combustion Research Centeren
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentMechanical Engineering Programen
dc.identifier.journalProceedings of the Combustion Instituteen
dc.contributor.institutionFuel Technology Division, R and D Center, Saudi Aramco, Dhahran 31311, Saudi Arabiaen
kaust.authorKhaled, Fathien
kaust.authorFarooq, Aamiren
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