Show simple item record

dc.contributor.authorJin, Hanfeng
dc.contributor.authorGuo, Junjun
dc.contributor.authorLi, Tianyu
dc.contributor.authorZhou, Zhongyue
dc.contributor.authorIm, Hong G.
dc.contributor.authorFarooq, Aamir
dc.date.accessioned2020-12-14T11:42:05Z
dc.date.available2020-12-14T11:42:05Z
dc.date.issued2021
dc.date.submitted2020-01-13
dc.identifier.citationJin, H., Guo, J., Li, T., Zhou, Z., Im, H. G., & Farooq, A. (2021). Experimental and numerical study of polycyclic aromatic hydrocarbon formation in ethylene laminar co-flow diffusion flames. Fuel, 289, 119931. doi:10.1016/j.fuel.2020.119931
dc.identifier.doi10.1016/j.fuel.2020.119931
dc.identifier.urihttp://hdl.handle.net/10754/666360
dc.description.abstractRecent literature kinetic studies revealed the importance of new mechanisms for polycyclic aromatic hydrocarbon (PAH) and soot inception beyond hydrogen–abstraction–acetylene–addition (HACA) and hydrogen–abstraction–vinylacetylene–addition (HAVA) mechanisms in the combustion of ethylene and other hydrocarbons. Co-flow diffusion flame is a canonical flame used to investigate the interaction between fluid dynamics and PAH chemistry. In this study, supersonic molecular beam sampling technique was utilized for the first time with synchrotron vacuum ultraviolet photoionization mass spectrometry (SVUV-PIMS) to measure laminar co-flow diffusion flame at atmospheric pressure. We report quantitative measurement of precursor radicals as well as critical intermediates and odd carbon number PAH species. A custom-designed computational code, based on OpenFOAM and Cantera, was adopted to simulate laminar co-flow diffusion flames with literature kinetic model. Chemical kinetic analyses show that addition reactions of odd carbon number species provide considerable contribution to PAH formation processes beside HACA and HAVA mechanisms. Reasonable mass growth reactions are postulated for aromatic species with odd carbon numbers, such as ethynyl-indene, fluorene, benzo-indene, which need further investigations. Reactions of resonantly stabilized radicals followed by ring expansion are shown to be critical for both odd and even carbon number aromatics, and are suggested to be included in future PAH models.
dc.description.sponsorshipResearch reported in this publication was funded by the Office of Sponsored Research at King Abdullah University of Science and Technology (KAUST) and National Natural Science Foundation of China(11675111). The computational resources were provided by KAUST Supercomputing Laboratory (KSL). We appreciate the great help in experiment from Dr. Yizun Wang, Dr. Jiuzhong Yang (University of Science and Technology of China), and Prof. Fei Qi (Shanghai Jiao Tong University).
dc.language.isoen
dc.publisherElsevier BV
dc.rightsArchived with thanks to Elsevier
dc.subjectEthylene
dc.subjectPolycyclic aromatic hydrocarbon
dc.subjectLaminar co-flow diffusion flame
dc.subjectSVUV-PI-MBMS
dc.subjectNumerical simulation
dc.titleExperimental and numerical study of polycyclic aromatic hydrocarbon formation in ethylene laminar co-flow diffusion flames
dc.typeArticle
dc.contributor.departmentClean Combustion Research Centre, Physical Sciences and Engineering Division, King Abdullah University of Science and Technology, Thuwal 23955-6900, Saudi Arabia
dc.contributor.departmentClean Combustion Research Center
dc.contributor.departmentPhysical Science and Engineering (PSE) Division
dc.identifier.journalFuel
dc.rights.embargodate2022-11-27
dc.eprint.versionPublisher's Version/PDF
dc.contributor.institutionKey Laboratory for Power Machinery and Engineering of MOE, School of Mechanical Engineering, Shanghai Jiao Tong University, Shanghai 200240, PR China
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)
pubs.publication-statusAccepted
kaust.personJin, Hanfeng
kaust.personGuo, Junjun
kaust.personIm, Hong G.
kaust.personFarooq, Aamir
dc.date.accepted2020-11-27
refterms.dateFOA2020-12-14T11:42:06Z
kaust.acknowledged.supportUnitKAUST Supercomputing Laboratory (KSL)
kaust.acknowledged.supportUnitOffice of Sponsored Research


Files in this item

Thumbnail
Name:
pagination_JFUE_119931.pdf
Size:
1.800Mb
Format:
PDF
Description:
Manuscript
Embargo End Date:
2022-11-27
Thumbnail
Name:
SMM1. Experimental Details.1018.pdf
Size:
5.060Mb
Format:
PDF
Embargo End Date:
2022-11-27
Thumbnail
Name:
SMM2. Experimental Data Collection.xlsx
Size:
25.02Kb
Format:
Microsoft Excel 2007
Embargo End Date:
2022-11-27
Thumbnail
Name:
SMM3. Mesh and Boundary Conditions.zip
Size:
5.208Kb
Format:
application/zip
Embargo End Date:
2022-11-27

This item appears in the following Collection(s)

Show simple item record