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An experimental and kinetic study of propanal oxidation

Capriolo, Gianluca LU ; Alekseev, Vladimir A. LU and Konnov, Alexander A. LU (2018) In Combustion and Flame 197. p.11-21
Abstract

Propanal is a critical stable intermediate derived from the oxidation of 1-propanol, a promising alcohol fuel additive. To deepen the knowledge and accurately describe propanal combustion characteristics, new burning velocity measurements at different temperatures were carried out and a new detailed kinetic mechanism for propanal was proposed. Experiments were performed using the heat flux method and compared with literature data. Important discrepancies were noted between the new and available data, and possible reasons were suggested. Flow rate sensitivity analysis highlighted that, as expected, the important reactions influencing the propanal oxidation in flames are pertinent to H2 and CO sub-mechanism. Current mechanism... (More)

Propanal is a critical stable intermediate derived from the oxidation of 1-propanol, a promising alcohol fuel additive. To deepen the knowledge and accurately describe propanal combustion characteristics, new burning velocity measurements at different temperatures were carried out and a new detailed kinetic mechanism for propanal was proposed. Experiments were performed using the heat flux method and compared with literature data. Important discrepancies were noted between the new and available data, and possible reasons were suggested. Flow rate sensitivity analysis highlighted that, as expected, the important reactions influencing the propanal oxidation in flames are pertinent to H2 and CO sub-mechanism. Current mechanism is based on the most recent Konnov model, extended to include propanal chemistry subset. Rate constant parameters were selected based on careful evaluation of experimental and theoretical data available in literature. Model validation included assessment against a large set of combustion experiments obtained at different regimes, i.e. flames, shock tubes, and well stirred reactor, as well as comparison with the semi-detailed (lumped) kinetic mechanism for hydrocarbon and oxygenated fuels from Politecnico di Milano, detailed kinetic model from Veloo et al. and low temperature oxidation of aldehydes kinetic model of Pelucchi et al. The proposed model reproduced experimental burning velocities, ignition delay times, flame structure and JSR data with an overall good fidelity, while it reproduces only qualitatively the species distribution of propanal pyrolysis.

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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
Burning velocity, Modelling, Propanal
in
Combustion and Flame
volume
197
pages
11 pages
publisher
Elsevier
external identifiers
  • scopus:85050242890
ISSN
0010-2180
DOI
10.1016/j.combustflame.2018.07.004
language
English
LU publication?
yes
id
1a15c6f1-4edc-4334-8b5a-f80d97b21c41
date added to LUP
2018-08-14 14:25:20
date last changed
2019-03-10 04:48:34
@article{1a15c6f1-4edc-4334-8b5a-f80d97b21c41,
  abstract     = {<p>Propanal is a critical stable intermediate derived from the oxidation of 1-propanol, a promising alcohol fuel additive. To deepen the knowledge and accurately describe propanal combustion characteristics, new burning velocity measurements at different temperatures were carried out and a new detailed kinetic mechanism for propanal was proposed. Experiments were performed using the heat flux method and compared with literature data. Important discrepancies were noted between the new and available data, and possible reasons were suggested. Flow rate sensitivity analysis highlighted that, as expected, the important reactions influencing the propanal oxidation in flames are pertinent to H<sub>2</sub> and CO sub-mechanism. Current mechanism is based on the most recent Konnov model, extended to include propanal chemistry subset. Rate constant parameters were selected based on careful evaluation of experimental and theoretical data available in literature. Model validation included assessment against a large set of combustion experiments obtained at different regimes, i.e. flames, shock tubes, and well stirred reactor, as well as comparison with the semi-detailed (lumped) kinetic mechanism for hydrocarbon and oxygenated fuels from Politecnico di Milano, detailed kinetic model from Veloo et al. and low temperature oxidation of aldehydes kinetic model of Pelucchi et al. The proposed model reproduced experimental burning velocities, ignition delay times, flame structure and JSR data with an overall good fidelity, while it reproduces only qualitatively the species distribution of propanal pyrolysis.</p>},
  author       = {Capriolo, Gianluca and Alekseev, Vladimir A. and Konnov, Alexander A.},
  issn         = {0010-2180},
  keyword      = {Burning velocity,Modelling,Propanal},
  language     = {eng},
  month        = {11},
  pages        = {11--21},
  publisher    = {Elsevier},
  series       = {Combustion and Flame},
  title        = {An experimental and kinetic study of propanal oxidation},
  url          = {http://dx.doi.org/10.1016/j.combustflame.2018.07.004},
  volume       = {197},
  year         = {2018},
}