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Experimental and kinetic modeling study of para-xylene chemistry in laminar premixed flames

Dupont, Laurent; Do, Hong Quan; Capriolo, Gianluca LU ; Konnov, Alexander A. LU and El Bakali, Abderrahman (2019) In Fuel 239. p.814-829
Abstract

The chemistry of para-xylene oxidation in laminar premixed flames has been analyzed using new experimental data on flame propagation at atmospheric pressure and flame structure of low-pressure stoichiometric flame. Atmospheric pressure laminar burning velocities of para-xylene + air flames were determined using the heat flux method at initial temperatures of 328 and 353 K over the equivalence ratio range of ϕ = 0.7–1.4 and of ϕ = 0.7–1.3, respectively. Temperature and mole fraction profiles of reactants, final products, and reactive and stable intermediate species have been measured in laminar premixed CH4/O2/N2 and CH4/1.5%C8H10/O2/N2 flames at low... (More)

The chemistry of para-xylene oxidation in laminar premixed flames has been analyzed using new experimental data on flame propagation at atmospheric pressure and flame structure of low-pressure stoichiometric flame. Atmospheric pressure laminar burning velocities of para-xylene + air flames were determined using the heat flux method at initial temperatures of 328 and 353 K over the equivalence ratio range of ϕ = 0.7–1.4 and of ϕ = 0.7–1.3, respectively. Temperature and mole fraction profiles of reactants, final products, and reactive and stable intermediate species have been measured in laminar premixed CH4/O2/N2 and CH4/1.5%C8H10/O2/N2 flames at low pressure (40 Torr) using thermocouple, molecular beam/mass spectrometry, and gas chromatography/mass spectrometry techniques. These new experimental results have been modeled with our previous model including sub-mechanisms for aromatics (benzene up to p-xylene) and aliphatic (C1 up to C7) oxidation. Good agreement has been observed for the profiles of the main species analyzed. Moreover, chemical pathways for common species in methane flame with and without 1.5% of benzene or 1.5% toluene investigated earlier under similar conditions were analysed and compared to the present flame doped with para-xylene. Key reactions of aromatics degradation in CH4/O2/N2 flames were identified and discussed. Burning velocities of para-xylene + air flames were also reproduced by the kinetic model.

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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
Burning velocity, Flame structure, Modeling, Para-xylene
in
Fuel
volume
239
pages
16 pages
publisher
Elsevier
external identifiers
  • scopus:85056835489
ISSN
0016-2361
DOI
10.1016/j.fuel.2018.11.074
language
English
LU publication?
yes
id
d575df8b-34fe-4c99-8cf2-515865d996b4
date added to LUP
2018-12-03 08:52:17
date last changed
2018-12-03 08:52:17
@article{d575df8b-34fe-4c99-8cf2-515865d996b4,
  abstract     = {<p>The chemistry of para-xylene oxidation in laminar premixed flames has been analyzed using new experimental data on flame propagation at atmospheric pressure and flame structure of low-pressure stoichiometric flame. Atmospheric pressure laminar burning velocities of para-xylene + air flames were determined using the heat flux method at initial temperatures of 328 and 353 K over the equivalence ratio range of ϕ = 0.7–1.4 and of ϕ = 0.7–1.3, respectively. Temperature and mole fraction profiles of reactants, final products, and reactive and stable intermediate species have been measured in laminar premixed CH<sub>4</sub>/O<sub>2</sub>/N<sub>2</sub> and CH<sub>4</sub>/1.5%C<sub>8</sub>H<sub>10</sub>/O<sub>2</sub>/N<sub>2</sub> flames at low pressure (40 Torr) using thermocouple, molecular beam/mass spectrometry, and gas chromatography/mass spectrometry techniques. These new experimental results have been modeled with our previous model including sub-mechanisms for aromatics (benzene up to p-xylene) and aliphatic (C1 up to C7) oxidation. Good agreement has been observed for the profiles of the main species analyzed. Moreover, chemical pathways for common species in methane flame with and without 1.5% of benzene or 1.5% toluene investigated earlier under similar conditions were analysed and compared to the present flame doped with para-xylene. Key reactions of aromatics degradation in CH<sub>4</sub>/O<sub>2</sub>/N<sub>2</sub> flames were identified and discussed. Burning velocities of para-xylene + air flames were also reproduced by the kinetic model.</p>},
  author       = {Dupont, Laurent and Do, Hong Quan and Capriolo, Gianluca and Konnov, Alexander A. and El Bakali, Abderrahman},
  issn         = {0016-2361},
  keyword      = {Burning velocity,Flame structure,Modeling,Para-xylene},
  language     = {eng},
  pages        = {814--829},
  publisher    = {Elsevier},
  series       = {Fuel},
  title        = {Experimental and kinetic modeling study of para-xylene chemistry in laminar premixed flames},
  url          = {http://dx.doi.org/10.1016/j.fuel.2018.11.074},
  volume       = {239},
  year         = {2019},
}