Kinetics of ethylcyclohexane pyrolysis and oxidation: An experimental and detailed kinetic modeling study

Handle URI:
http://hdl.handle.net/10754/564193
Title:
Kinetics of ethylcyclohexane pyrolysis and oxidation: An experimental and detailed kinetic modeling study
Authors:
Wang, Zhandong ( 0000-0003-1535-2319 ) ; Zhao, Long; Wang, Yu; Bian, Huiting; Zhang, Lidong; Zhang, Feng; Li, Yuyang; Sarathy, Mani ( 0000-0002-3975-6206 ) ; Qi, Fei
Abstract:
Ethylcyclohexane (ECH) is a model compound for cycloalkanes with long alkyl side-chains. A preliminary investigation on ECH (Wang et al., Proc. Combust. Inst., 35, 2015, 367-375) revealed that an accurate ECH kinetic model with detailed fuel consumption mechanism and aromatic growth pathways, as well as additional ECH pyrolysis and oxidation data with detailed species concentration covering a wide pressure and temperature range are required to understand the ECH combustion kinetics. In this work, the flow reactor pyrolysis of ECH at various pressures (30, 150 and 760Torr) was studied using synchrotron vacuum ultraviolet (VUV) photoionization mass spectrometry (PIMS) and gas chromatography (GC). The mole fraction profiles of numerous major and minor species were evaluated, and good agreement was observed between the PIMS and GC data sets. Furthermore, a fuel-rich burner-stabilized laminar premixed ECH/O2/Ar flame at 30Torr was studied using synchrotron VUV PIMS. A detailed kinetic model for ECH high temperature pyrolysis and oxidation was developed and validated against the pyrolysis and flame data performed in this work. Further validation of the kinetic model is presented against literature data including species concentrations in jet-stirred reactor oxidation, ignition delay times in a shock tube, and laminar flame speeds at various pressures and equivalence ratios. The model well predicts the consumption of ECH, the growth of aromatics, and the global combustion properties. Reaction flux and sensitivity analysis were utilized to elucidate chemical kinetic features of ECH combustion under various reaction conditions. © 2015 The Combustion Institute.
KAUST Department:
Clean Combustion Research Center; Chemical and Biological Engineering Program; Physical Sciences and Engineering (PSE) Division
Publisher:
Elsevier BV
Journal:
Combustion and Flame
Issue Date:
Jul-2015
DOI:
10.1016/j.combustflame.2015.03.017
Type:
Article
ISSN:
00102180
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Chemical and Biological Engineering Program; Clean Combustion Research Center

Full metadata record

DC FieldValue Language
dc.contributor.authorWang, Zhandongen
dc.contributor.authorZhao, Longen
dc.contributor.authorWang, Yuen
dc.contributor.authorBian, Huitingen
dc.contributor.authorZhang, Lidongen
dc.contributor.authorZhang, Fengen
dc.contributor.authorLi, Yuyangen
dc.contributor.authorSarathy, Manien
dc.contributor.authorQi, Feien
dc.date.accessioned2015-08-03T12:35:54Zen
dc.date.available2015-08-03T12:35:54Zen
dc.date.issued2015-07en
dc.identifier.issn00102180en
dc.identifier.doi10.1016/j.combustflame.2015.03.017en
dc.identifier.urihttp://hdl.handle.net/10754/564193en
dc.description.abstractEthylcyclohexane (ECH) is a model compound for cycloalkanes with long alkyl side-chains. A preliminary investigation on ECH (Wang et al., Proc. Combust. Inst., 35, 2015, 367-375) revealed that an accurate ECH kinetic model with detailed fuel consumption mechanism and aromatic growth pathways, as well as additional ECH pyrolysis and oxidation data with detailed species concentration covering a wide pressure and temperature range are required to understand the ECH combustion kinetics. In this work, the flow reactor pyrolysis of ECH at various pressures (30, 150 and 760Torr) was studied using synchrotron vacuum ultraviolet (VUV) photoionization mass spectrometry (PIMS) and gas chromatography (GC). The mole fraction profiles of numerous major and minor species were evaluated, and good agreement was observed between the PIMS and GC data sets. Furthermore, a fuel-rich burner-stabilized laminar premixed ECH/O2/Ar flame at 30Torr was studied using synchrotron VUV PIMS. A detailed kinetic model for ECH high temperature pyrolysis and oxidation was developed and validated against the pyrolysis and flame data performed in this work. Further validation of the kinetic model is presented against literature data including species concentrations in jet-stirred reactor oxidation, ignition delay times in a shock tube, and laminar flame speeds at various pressures and equivalence ratios. The model well predicts the consumption of ECH, the growth of aromatics, and the global combustion properties. Reaction flux and sensitivity analysis were utilized to elucidate chemical kinetic features of ECH combustion under various reaction conditions. © 2015 The Combustion Institute.en
dc.publisherElsevier BVen
dc.subjectEthylcyclohexaneen
dc.subjectKinetic modelingen
dc.subjectOxidationen
dc.subjectPremixed flamesen
dc.subjectPyrolysisen
dc.subjectSynchrotron VUV photoionization mass spectrometryen
dc.titleKinetics of ethylcyclohexane pyrolysis and oxidation: An experimental and detailed kinetic modeling studyen
dc.typeArticleen
dc.contributor.departmentClean Combustion Research Centeren
dc.contributor.departmentChemical and Biological Engineering Programen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.identifier.journalCombustion and Flameen
dc.contributor.institutionNational Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei, Anhui, Chinaen
dc.contributor.institutionKey Laboratory for Power Machinery and Engineering of M.O.E., Shanghai Jiao Tong University, Shanghai, Chinaen
kaust.authorWang, Zhandongen
kaust.authorSarathy, Manien
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