Isomer-specific influences on the composition of reaction intermediates in dimethyl ether/propene and ethanol/propene flame

Wang J, Struckmeier U, Yang B, Cool TA, Oßwald P, Kohse-Höinghaus K, Kasper T, Hansen N, Westmoreland PR (2008)
JOURNAL OF PHYSICAL CHEMISTRY A 112(39): 9255-9265.

Zeitschriftenaufsatz | Veröffentlicht | Englisch
 
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Abstract / Bemerkung
This work provides experimental evidence on how the molecular compositions of fuel-rich low-pressure premixed flames are influenced as the oxygenates dimethyl ether (DME) or ethanol are incrementally blended into the propene fuel. Ten different flames with a carbon-to-oxygen ratio of 0.5, ranging from 100% propene (phi = 1.5) to 100% oxygenated fuel (phi = 2.0), are analyzed with flame-sampling molecular-beam mass spectrometry employing electron- or photoionization. Absolute mole fraction profiles for flame species with masses ranging from m/z = 2(H-2) to m/z = 80 (C6H8) are analyzed with particular emphasis on the formation of harmful emissions. Fuel-specific destruction pathways, likely to be initiated by hydrogen abstraction, appear to lead to benzene from propene combustion and to formaldehyde and acetaldehyde through DME and ethanol combustion, respectively. While the concentration of acetaldehyde increases 10-fold as propene is substituted by ethanol, it decreases as propene is replaced with DME. In contrast, the formaldehyde concentration rises only slightly with ethanol replacement but increases markedly with addition of DME. Allyl and propargyl radicals, the dominant precursors for benzene formation, are likely to be produced directly from propene decomposition or via allene and propyne. Benzene formation through propargyl radicals formed via unsaturated C-2 intermediates in the decomposition of DME and ethanol is negligibly small. As a consequence, DME and ethanol addition lead to similar reductions of the benzene concentration.
Erscheinungsjahr
2008
Zeitschriftentitel
JOURNAL OF PHYSICAL CHEMISTRY A
Band
112
Ausgabe
39
Seite(n)
9255-9265
ISSN
1089-5639
eISSN
1520-5215
Page URI
https://pub.uni-bielefeld.de/record/1586126

Zitieren

Wang J, Struckmeier U, Yang B, et al. Isomer-specific influences on the composition of reaction intermediates in dimethyl ether/propene and ethanol/propene flame. JOURNAL OF PHYSICAL CHEMISTRY A. 2008;112(39):9255-9265.
Wang, J., Struckmeier, U., Yang, B., Cool, T. A., Oßwald, P., Kohse-Höinghaus, K., Kasper, T., et al. (2008). Isomer-specific influences on the composition of reaction intermediates in dimethyl ether/propene and ethanol/propene flame. JOURNAL OF PHYSICAL CHEMISTRY A, 112(39), 9255-9265. doi:10.1021/jp8011188
Wang, J., Struckmeier, U., Yang, B., Cool, T. A., Oßwald, P., Kohse-Höinghaus, K., Kasper, T., Hansen, N., and Westmoreland, P. R. (2008). Isomer-specific influences on the composition of reaction intermediates in dimethyl ether/propene and ethanol/propene flame. JOURNAL OF PHYSICAL CHEMISTRY A 112, 9255-9265.
Wang, J., et al., 2008. Isomer-specific influences on the composition of reaction intermediates in dimethyl ether/propene and ethanol/propene flame. JOURNAL OF PHYSICAL CHEMISTRY A, 112(39), p 9255-9265.
J. Wang, et al., “Isomer-specific influences on the composition of reaction intermediates in dimethyl ether/propene and ethanol/propene flame”, JOURNAL OF PHYSICAL CHEMISTRY A, vol. 112, 2008, pp. 9255-9265.
Wang, J., Struckmeier, U., Yang, B., Cool, T.A., Oßwald, P., Kohse-Höinghaus, K., Kasper, T., Hansen, N., Westmoreland, P.R.: Isomer-specific influences on the composition of reaction intermediates in dimethyl ether/propene and ethanol/propene flame. JOURNAL OF PHYSICAL CHEMISTRY A. 112, 9255-9265 (2008).
Wang, Juan, Struckmeier, Ulf, Yang, Bin, Cool, Terrill A., Oßwald, Patrick, Kohse-Höinghaus, Katharina, Kasper, Tina, Hansen, Nils, and Westmoreland, Phillip R. “Isomer-specific influences on the composition of reaction intermediates in dimethyl ether/propene and ethanol/propene flame”. JOURNAL OF PHYSICAL CHEMISTRY A 112.39 (2008): 9255-9265.

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