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

Fethi Khaled; Jihad Badra; Aamir Farooq

doi:10.1016/j.proci.2016.06.029

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

Fethi Khaled, Jihad Badra, Aamir Farooq^*

^*Corresponding author for this work

Mechanical Engineering

Research output: Contribution to journal › Article › peer-review

16 Scopus citations

Abstract

The reaction of OH with C₄ C₅ and C₆ straight chain alkenes were studied. The longer chain alkenes showed higher overall reaction rate coefficients with OH. However the increase in rate coefficients with increasing chain length did not appear to be monotonic. The position of double bond directly influenced the chemistry of OH + alkenes system; 2-alkenes were more reactive than the 1-alkenes. Trans conformers were more reactive than the cis conformers possibly due to the extended molecular geometry of trans-2-alkenes compared to that of cis-2-alkenes. At 350-700 K both H-abstraction and additions channels contributed to the overall rate constant. The OH addition channels were pressure dependent and these could become more important at higher operating pressures of engines.

Original language	English (US)
Pages (from-to)	289-298
Number of pages	10
Journal	Proceedings of the Combustion Institute
Volume	36
Issue number	1
DOIs	https://doi.org/10.1016/j.proci.2016.06.029
State	Published - 2017

Keywords

Alkenes
Hydroxyl radicals
Rate coefficients
Shock tube

ASJC Scopus subject areas

General Chemical Engineering
Mechanical Engineering
Physical and Theoretical Chemistry

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10.1016/j.proci.2016.06.029

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title = "A shock tube study of C4-C6 straight chain alkenes + OH reactions",

abstract = "The reaction of OH with C4 C5 and C6 straight chain alkenes were studied. The longer chain alkenes showed higher overall reaction rate coefficients with OH. However the increase in rate coefficients with increasing chain length did not appear to be monotonic. The position of double bond directly influenced the chemistry of OH + alkenes system; 2-alkenes were more reactive than the 1-alkenes. Trans conformers were more reactive than the cis conformers possibly due to the extended molecular geometry of trans-2-alkenes compared to that of cis-2-alkenes. At 350-700 K both H-abstraction and additions channels contributed to the overall rate constant. The OH addition channels were pressure dependent and these could become more important at higher operating pressures of engines.",

keywords = "Alkenes, Hydroxyl radicals, Rate coefficients, Shock tube",

author = "Fethi Khaled and Jihad Badra and Aamir Farooq",

note = "KAUST Repository Item: Exported on 2020-10-01 Acknowledgements: 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.",

year = "2017",

doi = "10.1016/j.proci.2016.06.029",

language = "English (US)",

volume = "36",

pages = "289--298",

journal = "Proceedings of the Combustion Institute",

issn = "1540-7489",

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T1 - A shock tube study of C4-C6 straight chain alkenes + OH reactions

AU - Khaled, Fethi

AU - Badra, Jihad

AU - Farooq, Aamir

N1 - KAUST Repository Item: Exported on 2020-10-01 Acknowledgements: 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.

PY - 2017

Y1 - 2017

N2 - The reaction of OH with C4 C5 and C6 straight chain alkenes were studied. The longer chain alkenes showed higher overall reaction rate coefficients with OH. However the increase in rate coefficients with increasing chain length did not appear to be monotonic. The position of double bond directly influenced the chemistry of OH + alkenes system; 2-alkenes were more reactive than the 1-alkenes. Trans conformers were more reactive than the cis conformers possibly due to the extended molecular geometry of trans-2-alkenes compared to that of cis-2-alkenes. At 350-700 K both H-abstraction and additions channels contributed to the overall rate constant. The OH addition channels were pressure dependent and these could become more important at higher operating pressures of engines.

AB - The reaction of OH with C4 C5 and C6 straight chain alkenes were studied. The longer chain alkenes showed higher overall reaction rate coefficients with OH. However the increase in rate coefficients with increasing chain length did not appear to be monotonic. The position of double bond directly influenced the chemistry of OH + alkenes system; 2-alkenes were more reactive than the 1-alkenes. Trans conformers were more reactive than the cis conformers possibly due to the extended molecular geometry of trans-2-alkenes compared to that of cis-2-alkenes. At 350-700 K both H-abstraction and additions channels contributed to the overall rate constant. The OH addition channels were pressure dependent and these could become more important at higher operating pressures of engines.

KW - Alkenes

KW - Hydroxyl radicals

KW - Rate coefficients

KW - Shock tube

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U2 - 10.1016/j.proci.2016.06.029

DO - 10.1016/j.proci.2016.06.029

M3 - Article

AN - SCOPUS:85006811866

SN - 1540-7489

VL - 36

SP - 289

EP - 298

JO - Proceedings of the Combustion Institute

JF - Proceedings of the Combustion Institute

IS - 1

ER -

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

Abstract

Keywords

ASJC Scopus subject areas

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