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 (2009)
PHYSICAL CHEMISTRY CHEMICAL PHYSICS 11(9): 1328-1339.

Journal Article | Published | English

No fulltext has been uploaded

Author
; ; ; ; ; ; ; ; ;
Abstract
Molecular-beam synchrotron photoionization mass spectrometry and electron-ionization mass spectrometry are used for measurements of species mole fraction profiles for low-pressure premixed dimethyl ether (DME)flames with equivalence ratios ranging from near-stoichiometric conditions (Phi = 0.93) to fuel-rich flames near the limits of flat-flame stability (Phi = 1.86). The results are compared with predictions of a recently modified kinetic model for DME combustion [Zhao et al., Int. J. Chem. Kinet., 2008, 40, 1-18] that has been extensively tested against laminar flame speed measurements, jet-stirred reactor experiments, pyrolysis and oxidation experiments in flow reactors, species measurements for burner-stabilized flames and ignition delay measurements in shock tubes. The present comprehensive measurements of the composition of reaction intermediates over a broad range of equivalence ratios considerably extends the range of the previous experiments used for validation of this model and allows for an accurate determination of contributions of individual reactions to the formation or destruction of any given flame species. The excellent agreement between measurements and predictions found for all major and most intermediate species over the entire range of equivalence ratios provides a uniquely sensitive test of details of the kinetic model. The dependence on equivalence ratio of the characteristic reaction paths in DME flames is examined within the framework of reaction path analyses.
Publishing Year
ISSN
eISSN
PUB-ID

Cite this

Wang J, Chaos M, Yang B, et al. Composition of reaction intermediates for stoichiometric and fuel-rich dimethyl ether flames: flame-sampling mass spectrometry and modeling studies. PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 2009;11(9):1328-1339.
Wang, J., Chaos, M., Yang, B., Cool, T. A., Dryer, F. L., Kasper, T., Hansen, N., et al. (2009). Composition of reaction intermediates for stoichiometric and fuel-rich dimethyl ether flames: flame-sampling mass spectrometry and modeling studies. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 11(9), 1328-1339.
Wang, J., Chaos, M., Yang, B., Cool, T. A., Dryer, F. L., Kasper, T., Hansen, N., Oßwald, P., Kohse-Höinghaus, K., and Westmoreland, P. R. (2009). Composition of reaction intermediates for stoichiometric and fuel-rich dimethyl ether flames: flame-sampling mass spectrometry and modeling studies. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 11, 1328-1339.
Wang, J., et al., 2009. Composition of reaction intermediates for stoichiometric and fuel-rich dimethyl ether flames: flame-sampling mass spectrometry and modeling studies. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 11(9), p 1328-1339.
J. Wang, et al., “Composition of reaction intermediates for stoichiometric and fuel-rich dimethyl ether flames: flame-sampling mass spectrometry and modeling studies”, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, vol. 11, 2009, pp. 1328-1339.
Wang, J., Chaos, M., Yang, B., Cool, T.A., Dryer, F.L., Kasper, T., Hansen, N., Oßwald, P., Kohse-Höinghaus, K., Westmoreland, P.R.: Composition of reaction intermediates for stoichiometric and fuel-rich dimethyl ether flames: flame-sampling mass spectrometry and modeling studies. PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 11, 1328-1339 (2009).
Wang, Juan, Chaos, Marcos, Yang, Bin, Cool, Terrill A., Dryer, Fred L., Kasper, Tina, Hansen, Nils, Oßwald, Patrick, Kohse-Höinghaus, Katharina, and Westmoreland, Phillip R. “Composition of reaction intermediates for stoichiometric and fuel-rich dimethyl ether flames: flame-sampling mass spectrometry and modeling studies”. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 11.9 (2009): 1328-1339.
This data publication is cited in the following publications:
This publication cites the following data publications:

3 Citations in Europe PMC

Data provided by Europe PubMed Central.

Combustion chemistry and flame structure of furan group biofuels using molecular-beam mass spectrometry and gas chromatography - Part III: 2,5-Dimethylfuran.
Togbe C, Tran LS, Liu D, Felsmann D, Oßwald P, Glaude PA, Sirjean B, Fournet R, Battin-Leclerc F, Kohse-Hoinghaus K., Combust Flame 161(3), 2014
PMID: 24518851
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-Hoinghaus K., Phys Chem Chem Phys 13(15), 2011
PMID: 21409253
Biofuel combustion chemistry: from ethanol to biodiesel.
Kohse-Hoinghaus K, Osswald P, Cool TA, Kasper T, Hansen N, Qi F, Westbrook CK, Westmoreland PR., Angew. Chem. Int. Ed. Engl. 49(21), 2010
PMID: 20446278

33 References

Data provided by Europe PubMed Central.

High temperature ignition and combustion enhancement by dimethyl ether addition to methane–air mixtures☆
Chen, Proceedings of the Combustion Institute 31(1), 2007
Photoionization mass spectrometry and modeling studies of the chemistry of fuel-rich dimethyl ether flames☆
Cool, Proceedings of the Combustion Institute 31(1), 2007
A comprehensive kinetic mechanism for CO, CH2O, and CH3OH combustion
Li, International Journal of Chemical Kinetics 39(3), 2007
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-Hoinghaus K, Wang J, Cool TA, Hansen N, Westmoreland PR., J Phys Chem A 111(19), 2007
PMID: 17388390
OH Concentration in an Atmospheric-Pressure Methane-Air Flame from Molecular-Beam Mass Spectrometry and Laser-Absorption Spectroscopy
Cattolica, Combustion Science and Technology 28(5), 1982
Thermal decomposition reaction and a comprehensive kinetic model of dimethyl ether
Zhao, International Journal of Chemical Kinetics 40(1), 2008
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-Hoinghaus K, Kasper T, Hansen N, Westmoreland PR., J Phys Chem A 112(39), 2008
PMID: 18505242

Export

0 Marked Publications

Open Data PUB

Web of Science

View record in Web of Science®

Sources

PMID: 19224033
PubMed | Europe PMC

Search this title in

Google Scholar