Combustion chemistry of alkenes and alkadienes

Chong Wen Zhou; Aamir Farooq; Lijun Yang; Alexander M. Mebel

doi:10.1016/j.pecs.2021.100983

Combustion chemistry of alkenes and alkadienes

Chong Wen Zhou, Aamir Farooq, Lijun Yang, Alexander M. Mebel

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

48 Scopus citations

Abstract

Alkenes formed, during the refining of crude oil, by cracking the heavier fractions are present in transportation fuels in significant amounts, up to as much as 15–20% in gasoline. Moreover, alkenes are also the major intermediate products of the oxidation of alkanes, which play a significant role in autoignition chemistry. This review has assessed the recent progress in gas-phase detailed kinetic model development for species with C=C double bond, mostly C2–C10 alkenes and 1,3-butadiene. The compiled knowledge on alkene combustion chemistry enabled a better understanding of the influence of the number and the position of the C=C double bond on the chemical kinetics and hence combustion behavior of alkenes in engines. At first, the article gives an extensive overview of fundamental combustion experiments by considering studies of C2–C10 alkenes and 1,3-butadiene in shock tubes, rapid compression machines, laminar flames, and jet-stirred and flow reactors. The value of the data from such experiments is critically discussed. Secondly, this article highlights the important reaction classes involved in alkene oxidation over low-, intermediate- and high-temperature ranges. Combustion chemistry covering C2 to C10 alkenes, with a special emphasis on C2 to C7 isomers is discussed by presenting a large body of experimental and modeling investigations. Detailed chemistry differences between alkene isomers and also between alkenes and alkanes are also addressed. Thirdly, the article presents important reaction pathways for PAH precursor formation in different alkenes. Finally, a summary of the distinguishing features of alkene combustion chemistry and an outlook towards future research in this area are presented. This review is focused on linear and branched chain alkenes, and the chemistry of cyclo-alkenes is not included.

Original language	English (US)
Pages (from-to)	100983
Journal	Progress in Energy and Combustion Science
Volume	90
DOIs	https://doi.org/10.1016/j.pecs.2021.100983
State	Published - Jan 18 2022

Bibliographical note

KAUST Repository Item: Exported on 2022-01-26
Acknowledgements: Chong-Wen Zhou gratefully acknowledges Philippe Dagaut (CNRS, France), Henry Curran (NUI Galway, Ireland) and Stephen Klippenstein (Argonne National Laboratory, USA) for their valuable and helpful comments to improve this work. She also acknowledges the funding support from National Science and Technology Major Project (2017-III0004-0028). Aamir Farooq acknowledges the support from the Office of Sponsored Research at King Abdullah University of Science and Technology (KAUST). Alexander M. Mebel acknowledges support from the US Department of Energy, Basic Energy Sciences via the grant DE-FG02-04ER15570.

ASJC Scopus subject areas

Energy Engineering and Power Technology
General Chemical Engineering
Fuel Technology

Access to Document

10.1016/j.pecs.2021.100983

https://repository.kaust.edu.sa/bitstream/10754/675122/1/4_plain_PECS-D-20-00051_R3.pdf

Cite this

@article{3e20dfbcbad1405992351abe6ef4ebf8,

title = "Combustion chemistry of alkenes and alkadienes",

abstract = "Alkenes formed, during the refining of crude oil, by cracking the heavier fractions are present in transportation fuels in significant amounts, up to as much as 15–20% in gasoline. Moreover, alkenes are also the major intermediate products of the oxidation of alkanes, which play a significant role in autoignition chemistry. This review has assessed the recent progress in gas-phase detailed kinetic model development for species with C=C double bond, mostly C2–C10 alkenes and 1,3-butadiene. The compiled knowledge on alkene combustion chemistry enabled a better understanding of the influence of the number and the position of the C=C double bond on the chemical kinetics and hence combustion behavior of alkenes in engines. At first, the article gives an extensive overview of fundamental combustion experiments by considering studies of C2–C10 alkenes and 1,3-butadiene in shock tubes, rapid compression machines, laminar flames, and jet-stirred and flow reactors. The value of the data from such experiments is critically discussed. Secondly, this article highlights the important reaction classes involved in alkene oxidation over low-, intermediate- and high-temperature ranges. Combustion chemistry covering C2 to C10 alkenes, with a special emphasis on C2 to C7 isomers is discussed by presenting a large body of experimental and modeling investigations. Detailed chemistry differences between alkene isomers and also between alkenes and alkanes are also addressed. Thirdly, the article presents important reaction pathways for PAH precursor formation in different alkenes. Finally, a summary of the distinguishing features of alkene combustion chemistry and an outlook towards future research in this area are presented. This review is focused on linear and branched chain alkenes, and the chemistry of cyclo-alkenes is not included.",

author = "Zhou, {Chong Wen} and Aamir Farooq and Lijun Yang and Mebel, {Alexander M.}",

note = "KAUST Repository Item: Exported on 2022-01-26 Acknowledgements: Chong-Wen Zhou gratefully acknowledges Philippe Dagaut (CNRS, France), Henry Curran (NUI Galway, Ireland) and Stephen Klippenstein (Argonne National Laboratory, USA) for their valuable and helpful comments to improve this work. She also acknowledges the funding support from National Science and Technology Major Project (2017-III0004-0028). Aamir Farooq acknowledges the support from the Office of Sponsored Research at King Abdullah University of Science and Technology (KAUST). Alexander M. Mebel acknowledges support from the US Department of Energy, Basic Energy Sciences via the grant DE-FG02-04ER15570.",

year = "2022",

month = jan,

day = "18",

doi = "10.1016/j.pecs.2021.100983",

language = "English (US)",

volume = "90",

pages = "100983",

journal = "Progress in Energy and Combustion Science",

issn = "0360-1285",

publisher = "Elsevier B.V.",

}

TY - JOUR

T1 - Combustion chemistry of alkenes and alkadienes

AU - Zhou, Chong Wen

AU - Farooq, Aamir

AU - Yang, Lijun

AU - Mebel, Alexander M.

N1 - KAUST Repository Item: Exported on 2022-01-26 Acknowledgements: Chong-Wen Zhou gratefully acknowledges Philippe Dagaut (CNRS, France), Henry Curran (NUI Galway, Ireland) and Stephen Klippenstein (Argonne National Laboratory, USA) for their valuable and helpful comments to improve this work. She also acknowledges the funding support from National Science and Technology Major Project (2017-III0004-0028). Aamir Farooq acknowledges the support from the Office of Sponsored Research at King Abdullah University of Science and Technology (KAUST). Alexander M. Mebel acknowledges support from the US Department of Energy, Basic Energy Sciences via the grant DE-FG02-04ER15570.

PY - 2022/1/18

Y1 - 2022/1/18

N2 - Alkenes formed, during the refining of crude oil, by cracking the heavier fractions are present in transportation fuels in significant amounts, up to as much as 15–20% in gasoline. Moreover, alkenes are also the major intermediate products of the oxidation of alkanes, which play a significant role in autoignition chemistry. This review has assessed the recent progress in gas-phase detailed kinetic model development for species with C=C double bond, mostly C2–C10 alkenes and 1,3-butadiene. The compiled knowledge on alkene combustion chemistry enabled a better understanding of the influence of the number and the position of the C=C double bond on the chemical kinetics and hence combustion behavior of alkenes in engines. At first, the article gives an extensive overview of fundamental combustion experiments by considering studies of C2–C10 alkenes and 1,3-butadiene in shock tubes, rapid compression machines, laminar flames, and jet-stirred and flow reactors. The value of the data from such experiments is critically discussed. Secondly, this article highlights the important reaction classes involved in alkene oxidation over low-, intermediate- and high-temperature ranges. Combustion chemistry covering C2 to C10 alkenes, with a special emphasis on C2 to C7 isomers is discussed by presenting a large body of experimental and modeling investigations. Detailed chemistry differences between alkene isomers and also between alkenes and alkanes are also addressed. Thirdly, the article presents important reaction pathways for PAH precursor formation in different alkenes. Finally, a summary of the distinguishing features of alkene combustion chemistry and an outlook towards future research in this area are presented. This review is focused on linear and branched chain alkenes, and the chemistry of cyclo-alkenes is not included.

AB - Alkenes formed, during the refining of crude oil, by cracking the heavier fractions are present in transportation fuels in significant amounts, up to as much as 15–20% in gasoline. Moreover, alkenes are also the major intermediate products of the oxidation of alkanes, which play a significant role in autoignition chemistry. This review has assessed the recent progress in gas-phase detailed kinetic model development for species with C=C double bond, mostly C2–C10 alkenes and 1,3-butadiene. The compiled knowledge on alkene combustion chemistry enabled a better understanding of the influence of the number and the position of the C=C double bond on the chemical kinetics and hence combustion behavior of alkenes in engines. At first, the article gives an extensive overview of fundamental combustion experiments by considering studies of C2–C10 alkenes and 1,3-butadiene in shock tubes, rapid compression machines, laminar flames, and jet-stirred and flow reactors. The value of the data from such experiments is critically discussed. Secondly, this article highlights the important reaction classes involved in alkene oxidation over low-, intermediate- and high-temperature ranges. Combustion chemistry covering C2 to C10 alkenes, with a special emphasis on C2 to C7 isomers is discussed by presenting a large body of experimental and modeling investigations. Detailed chemistry differences between alkene isomers and also between alkenes and alkanes are also addressed. Thirdly, the article presents important reaction pathways for PAH precursor formation in different alkenes. Finally, a summary of the distinguishing features of alkene combustion chemistry and an outlook towards future research in this area are presented. This review is focused on linear and branched chain alkenes, and the chemistry of cyclo-alkenes is not included.

UR - http://hdl.handle.net/10754/675122

UR - https://linkinghub.elsevier.com/retrieve/pii/S0360128521000812

UR - http://www.scopus.com/inward/record.url?scp=85122976149&partnerID=8YFLogxK

U2 - 10.1016/j.pecs.2021.100983

DO - 10.1016/j.pecs.2021.100983

M3 - Article

SN - 0360-1285

VL - 90

SP - 100983

JO - Progress in Energy and Combustion Science

JF - Progress in Energy and Combustion Science

ER -

Combustion chemistry of alkenes and alkadienes

Abstract

Bibliographical note

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Cite this