Issue 9, 2009
From the journal:

Physical Chemistry Chemical Physics

Composition of reaction intermediates for stoichiometric and fuel-rich dimethyl ether flames: flame-sampling mass spectrometry and modeling studies†

Juan Wang,a   Marcos Chaos,b   Bin Yang,a   Terrill A. Cool,*a   Fred L. Dryer,*b   Tina Kasper,c   Nils Hansen,c   Patrick Oßwald,d   Katharina Kohse-Höinghausd  and  Phillip R. Westmorelande  

* Corresponding authors

a School of Applied and Engineering Physics, Cornell University, Ithaca, USA
E-mail: tac13@cornell.edu

b Department of Mechanical and Aerospace Engineering, Princeton University, Princeton, USA
E-mail: fldryer@princeton.edu

c Combustion Research Facility, Sandia National Laboratories, Livermore, USA

d Department of Chemistry, Bielefeld University, Universitätsstraße 25, Bielefeld, Germany

e Department of Chemical Engineering, University of Massachusetts, Amherst, USA

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 (Φ = 0.93) to fuel-rich flames near the limits of flat-flame stability (Φ = 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.

Graphical abstract: Composition of reaction intermediates for stoichiometric and fuel-rich dimethyl ether flames: flame-sampling mass spectrometry and modeling studies

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Article information

DOI
https://doi.org/10.1039/B815988B
Article type
Paper
Submitted
12 Sep 2008
Accepted
24 Nov 2008
First published
15 Jan 2009

Phys. Chem. Chem. Phys., 2009,11, 1328-1339

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Composition of reaction intermediates for stoichiometric and fuel-rich dimethyl ether flames: flame-sampling mass spectrometry and modeling studies

J. Wang, M. Chaos, B. Yang, T. A. Cool, F. L. Dryer, T. Kasper, N. Hansen, P. Oßwald, K. Kohse-Höinghaus and P. R. Westmoreland, Phys. Chem. Chem. Phys., 2009, 11, 1328 DOI: 10.1039/B815988B

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