Experimental and modeling study on pyrolysis of n-decane initiated by nitromethane

Handle URI:
http://hdl.handle.net/10754/621741
Title:
Experimental and modeling study on pyrolysis of n-decane initiated by nitromethane
Authors:
Jia, Zhenjian; Wang, Zhandong ( 0000-0003-1535-2319 ) ; Cheng, Zhanjun; Zhou, Weixing
Abstract:
Initiator could accelerate the rate of hydrocarbon pyrolysis and reduce the required material temperatures for a hypersonic aircraft heat exchanger/reactor. Nitroalkanes were proposed as the effective initiator because of the lower CN bond dissociation energy. In order to investigate the initiation mechanism of nitroalkanes on hydrocarbon pyrolysis, the pyrolysis of n-decane, nitromethane and their binary mixture were carried out at 30, 150 and 760 Torr in a flow reactor with synchrotron vacuum ultraviolet photoionization mass spectrometry (SVUV-PIMS). The identified and quantified pyrolysis species include C1C2 alkanes, C2C10 alkenes, C3C6 dialkenes, C2C3 alkynes, nitrogen oxides such as NO and NO2, benzene, and radicals including CH3, C3H3, and C3H5, which shed light on the mechanism of n-decane and nitromethane pyrolysis, as well as the interactions of these two fuels. The experimental results indicate that the addition of nitromethane decreases the initial decomposition temperature of n-decane, and a stronger promotion effect could be obtained as the experimental pressure increases. The distributions of alkanes, alkenes, dialkenes, alkynes and benzene are also influenced by the addition of nitromethane. A detailed kinetic model with 266 species and 1648 reactions was developed and validated against the mole fraction profiles of reactants, major products and important intermediates during the pyrolysis of each fuel and their binary mixture. The satisfactory model prediction to the experimental measurements permits the analysis of the kinetic effect of nitromethane initiation on the pyrolysis of n-decane. So that, the increase of the conversion rate at a lower temperature, the selectivity of decomposition products, and reduction of benzene formation are better understood.
KAUST Department:
Clean Combustion Research Center
Citation:
Jia Z, Wang Z, Cheng Z, Zhou W (2016) Experimental and modeling study on pyrolysis of n-decane initiated by nitromethane. Combustion and Flame 165: 246–258. Available: http://dx.doi.org/10.1016/j.combustflame.2015.12.010.
Publisher:
Elsevier BV
Journal:
Combustion and Flame
Issue Date:
15-Jan-2016
DOI:
10.1016/j.combustflame.2015.12.010
Type:
Article
ISSN:
0010-2180
Sponsors:
This research was supported by Natural Science Foundation of China (11079017), (U1432130). Dr. Hanfeng Jin and Dr. Mingfeng Xie are appreciated for the assistance in experiments at NSRL.
Appears in Collections:
Articles; Clean Combustion Research Center

Full metadata record

DC FieldValue Language
dc.contributor.authorJia, Zhenjianen
dc.contributor.authorWang, Zhandongen
dc.contributor.authorCheng, Zhanjunen
dc.contributor.authorZhou, Weixingen
dc.date.accessioned2016-11-03T13:23:58Z-
dc.date.available2016-11-03T13:23:58Z-
dc.date.issued2016-01-15en
dc.identifier.citationJia Z, Wang Z, Cheng Z, Zhou W (2016) Experimental and modeling study on pyrolysis of n-decane initiated by nitromethane. Combustion and Flame 165: 246–258. Available: http://dx.doi.org/10.1016/j.combustflame.2015.12.010.en
dc.identifier.issn0010-2180en
dc.identifier.doi10.1016/j.combustflame.2015.12.010en
dc.identifier.urihttp://hdl.handle.net/10754/621741-
dc.description.abstractInitiator could accelerate the rate of hydrocarbon pyrolysis and reduce the required material temperatures for a hypersonic aircraft heat exchanger/reactor. Nitroalkanes were proposed as the effective initiator because of the lower CN bond dissociation energy. In order to investigate the initiation mechanism of nitroalkanes on hydrocarbon pyrolysis, the pyrolysis of n-decane, nitromethane and their binary mixture were carried out at 30, 150 and 760 Torr in a flow reactor with synchrotron vacuum ultraviolet photoionization mass spectrometry (SVUV-PIMS). The identified and quantified pyrolysis species include C1C2 alkanes, C2C10 alkenes, C3C6 dialkenes, C2C3 alkynes, nitrogen oxides such as NO and NO2, benzene, and radicals including CH3, C3H3, and C3H5, which shed light on the mechanism of n-decane and nitromethane pyrolysis, as well as the interactions of these two fuels. The experimental results indicate that the addition of nitromethane decreases the initial decomposition temperature of n-decane, and a stronger promotion effect could be obtained as the experimental pressure increases. The distributions of alkanes, alkenes, dialkenes, alkynes and benzene are also influenced by the addition of nitromethane. A detailed kinetic model with 266 species and 1648 reactions was developed and validated against the mole fraction profiles of reactants, major products and important intermediates during the pyrolysis of each fuel and their binary mixture. The satisfactory model prediction to the experimental measurements permits the analysis of the kinetic effect of nitromethane initiation on the pyrolysis of n-decane. So that, the increase of the conversion rate at a lower temperature, the selectivity of decomposition products, and reduction of benzene formation are better understood.en
dc.description.sponsorshipThis research was supported by Natural Science Foundation of China (11079017), (U1432130). Dr. Hanfeng Jin and Dr. Mingfeng Xie are appreciated for the assistance in experiments at NSRL.en
dc.publisherElsevier BVen
dc.subjectn-Decaneen
dc.subjectNitromethaneen
dc.subjectEndothermic hydrocarbons fuelsen
dc.subjectInitiated pyrolysisen
dc.subjectSVUV-PIMSen
dc.titleExperimental and modeling study on pyrolysis of n-decane initiated by nitromethaneen
dc.typeArticleen
dc.contributor.departmentClean Combustion Research Centeren
dc.identifier.journalCombustion and Flameen
dc.contributor.institutionSchool of Energy Science and Engineering, Harbin Institute of Technology, Harbin, Heilongjiang, Chinaen
dc.contributor.institutionSchool of Environmental Science and Engineering, Tianjin University, Tianjin, Chinaen
dc.contributor.institutionAcademy of Fundamental and Interdisciplinary Sciences, Harbin Institute of Technology, Harbin, Heilongjiang, Chinaen
kaust.authorWang, Zhandongen
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