Isomer-specific fuel destruction pathways in rich flames of methyl acetate and ethyl formate and consequences for the combustion chemistry of esters

Oßwald P, Struckmeier U, Kasper T, Kohse-Höinghaus K, Wang J, Cool TA, Hansen N, Westmoreland PR (2007)
JOURNAL OF PHYSICAL CHEMISTRY A 111(19): 4093-4101.

Zeitschriftenaufsatz | Veröffentlicht | Englisch
 
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Autor*in
Oßwald, PatrickUniBi ; Struckmeier, Ulf; Kasper, Tina; Kohse-Höinghaus, KatharinaUniBi; Wang, Juan; Cool, Terrill A.; Hansen, Nils; Westmoreland, Phillip R.
Abstract / Bemerkung
The influences of fuel-specific destruction pathways on flame chemistry are determined for two isomeric ester fuels, methyl acetate, CH3(CO)OCH3, and ethyl formate, H(CO)OC2H5, used as model representatives for biodiesel compounds, and their potential for forming air pollutants is addressed. Measurements are presented of major and intermediate species mole fractions in premixed, laminar flat flames using molecular-beam sampling and isomer-selective VUV-photoionization mass spectrometry. The observed intermediate species concentrations depend crucially on decomposition of the different radicals formed initially from the fuels. The methyl acetate structure leads to preferential formation of formaldehyde, while the ethyl formate isomer favors the production of acetaldehyde. Ethyl formate also yields higher concentrations of the C-2 species (C2H2 and C2H4) and C-4 species (C4H2 and C4H4). Benzene concentrations, while larger for ethyl formate, are at least an order of magnitude smaller for both flames than seen for simple hydrocarbon fuels (ethylene, ethane, propene, and propane).
Erscheinungsjahr
2007
Zeitschriftentitel
JOURNAL OF PHYSICAL CHEMISTRY A
Band
111
Ausgabe
19
Seite(n)
4093-4101
ISSN
1089-5639
eISSN
1520-5215
Page URI
https://pub.uni-bielefeld.de/record/1594379

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Oßwald P, Struckmeier U, Kasper T, et al. Isomer-specific fuel destruction pathways in rich flames of methyl acetate and ethyl formate and consequences for the combustion chemistry of esters. JOURNAL OF PHYSICAL CHEMISTRY A. 2007;111(19):4093-4101.
Oßwald, P., Struckmeier, U., Kasper, T., Kohse-Höinghaus, K., Wang, J., Cool, T. A., Hansen, N., et al. (2007). Isomer-specific fuel destruction pathways in rich flames of methyl acetate and ethyl formate and consequences for the combustion chemistry of esters. JOURNAL OF PHYSICAL CHEMISTRY A, 111(19), 4093-4101. https://doi.org/10.1021/jp068337w
Oßwald, Patrick, Struckmeier, Ulf, Kasper, Tina, Kohse-Höinghaus, Katharina, Wang, Juan, Cool, Terrill A., Hansen, Nils, and Westmoreland, Phillip R. 2007. “Isomer-specific fuel destruction pathways in rich flames of methyl acetate and ethyl formate and consequences for the combustion chemistry of esters”. JOURNAL OF PHYSICAL CHEMISTRY A 111 (19): 4093-4101.
Oßwald, P., Struckmeier, U., Kasper, T., Kohse-Höinghaus, K., Wang, J., Cool, T. A., Hansen, N., and Westmoreland, P. R. (2007). Isomer-specific fuel destruction pathways in rich flames of methyl acetate and ethyl formate and consequences for the combustion chemistry of esters. JOURNAL OF PHYSICAL CHEMISTRY A 111, 4093-4101.
Oßwald, P., et al., 2007. Isomer-specific fuel destruction pathways in rich flames of methyl acetate and ethyl formate and consequences for the combustion chemistry of esters. JOURNAL OF PHYSICAL CHEMISTRY A, 111(19), p 4093-4101.
P. Oßwald, et al., “Isomer-specific fuel destruction pathways in rich flames of methyl acetate and ethyl formate and consequences for the combustion chemistry of esters”, JOURNAL OF PHYSICAL CHEMISTRY A, vol. 111, 2007, pp. 4093-4101.
Oßwald, P., Struckmeier, U., Kasper, T., Kohse-Höinghaus, K., Wang, J., Cool, T.A., Hansen, N., Westmoreland, P.R.: Isomer-specific fuel destruction pathways in rich flames of methyl acetate and ethyl formate and consequences for the combustion chemistry of esters. JOURNAL OF PHYSICAL CHEMISTRY A. 111, 4093-4101 (2007).
Oßwald, Patrick, Struckmeier, Ulf, Kasper, Tina, Kohse-Höinghaus, Katharina, Wang, Juan, Cool, Terrill A., Hansen, Nils, and Westmoreland, Phillip R. “Isomer-specific fuel destruction pathways in rich flames of methyl acetate and ethyl formate and consequences for the combustion chemistry of esters”. JOURNAL OF PHYSICAL CHEMISTRY A 111.19 (2007): 4093-4101.

12 Zitationen in Europe PMC

Daten bereitgestellt von Europe PubMed Central.

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Detailed product analysis during the low temperature oxidation of n-butane.
Herbinet O, Battin-Leclerc F, Bax S, Le Gall H, Glaude PA, Fournet R, Zhou Z, Deng L, Guo H, Xie M, Qi F., Phys Chem Chem Phys 13(1), 2011
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Fuel-specific influences on the composition of reaction intermediates in premixed flames of three C5H10O2 ester isomers.
Yang B, Westbrook CK, Cool TA, Hansen N, Kohse-Höinghaus K., Phys Chem Chem Phys 13(15), 2011
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Chemical dynamics, molecular energetics, and kinetics at the synchrotron.
Leone SR, Ahmed M, Wilson KR., Phys Chem Chem Phys 12(25), 2010
PMID: 20419177
Biofuel combustion chemistry: from ethanol to biodiesel.
Kohse-Höinghaus K, Osswald P, Cool TA, Kasper T, Hansen N, Qi F, Westbrook CK, Westmoreland PR., Angew Chem Int Ed Engl 49(21), 2010
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The importance of fuel dissociation and propargyl + allyl association for the formation of benzene in a fuel-rich 1-hexene flame.
Hansen N, Li W, Law ME, Kasper T, Westmoreland PR, Yang B, Cool TA, Lucassen A., Phys Chem Chem Phys 12(38), 2010
PMID: 20820554
Composition of reaction intermediates for stoichiometric and fuel-rich dimethyl ether flames: flame-sampling mass spectrometry and modeling studies.
Wang J, Chaos M, Yang B, Cool TA, Dryer FL, Kasper T, Hansen N, Osswald P, Kohse-Höinghaus K, Westmoreland PR., Phys Chem Chem Phys 11(9), 2009
PMID: 19224033
A combined ab initio and photoionization mass spectrometric study of polyynes in fuel-rich flames.
Hansen N, Klippenstein SJ, Westmoreland PR, Kasper T, Kohse-Höinghaus K, Wang J, Cool TA., Phys Chem Chem Phys 10(3), 2008
PMID: 18174978
"Imaging" combustion chemistry via multiplexed synchrotron-photoionization mass spectrometry.
Taatjes CA, Hansen N, Osborn DL, Kohse-Höinghaus K, Cool TA, Westmoreland PR., Phys Chem Chem Phys 10(1), 2008
PMID: 18075680

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