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Zeitschrift für Physikalische Chemie

International journal of research in physical chemistry and chemical physics

Ed. by Rademann, Klaus

12 Issues per year


IMPACT FACTOR 2015: 1.183

SCImago Journal Rank (SJR) 2015: 0.491
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Impact per Publication (IPP) 2015: 1.133

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2196-7156
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Identification of Tetrahydrofuran Reaction Pathways in Premixed Flames

Tina Kasper / Arnas Lucassen
  • 1 Bielefeld University, Department of Chemistry, Bielefeld, Deutschland
/ Ahren W. Jasper
  • 2 Sandia National Laboratories, Combustion Research Facility, Livermore, CA 94551, U.S.A.
/ Wenjun Li
  • 3 North Carolina State University, Department of Chemical and Biomolecular Engineerin, Raleigh, NC 27695, U.S.A.
/ Philip R. Westmoreland
  • 4 North Carolina State University, Department of Chemical and Biomolecular Engineerin, Raleigh, NC 27695, U.S.A.
/ Katharina Kohse-Höinghaus
  • 5 Bielefeld University, Department of Chemistry, Bielefeld, Deutschland
/ Bin Yang
  • 6 Cornell University, School of Applied Engineering Physics, Ithaca, NY 14853, U.S.A.
/ Juan Wang
  • 7 Cornell University, School of Applied Engineering Physics, Ithaca, NY 14853, U.S.A.
/ Terrill A. Cool
  • 8 Cornell University, School of Applied Engineering Physics, Ithaca, NY 14853, U.S.A.
/ Nils Hansen
  • 9 Sandia National Laboratories, Combustion Research Facility, Livermore, CA 94551, U.S.A.
Published Online: 2011-12-14 | DOI: https://doi.org/10.1524/zpch.2011.0163

Abstract

Premixed low-pressure tetrahydrofuran/oxygen/argon flames are investigated by photoionization molecular-beam mass spectrometry using vacuum-ultraviolet synchrotron radiation. For two equivalence ratios (φ = 1.00 and 1.75), mole fractions are measured as a function of distance from the burner for almost 60 intermediates with molar masses ranging from 2 (H2) to 88 (C4H6O2), providing a broad database for flame modeling studies. The isomeric composition is resolved by comparisons between experimental photoionization efficiency data and theoretical simulations, based on calculated ionization energies and Franck-Condon factors. Special emphasis is put on the resolution of the first reaction steps in the fuel destruction. The photoionization experiments are complemented by electron-ionization molecular-beam mass-spectrometry measurements that provide data with high mass resolution. For three additional flames with intermediate equivalence ratios (φ = 1.20, 1.40 and 1.60), mole fractions of major species and photoionization efficiency spectra of intermediate species are reported, extending the database for the development of chemical kinetic models.

Keywords: Combustion chemistry; Laminar flames; Molecular beam mass spectrometry; Tetrahydrofuran; Biofuel

* Correspondence address: Sandia National Laboratories, Combustion Research Facility, Livermore, CA 94551, U.S.A.,


Published Online: 2011-12-14

Published in Print: 2011-12-01


Citation Information: Zeitschrift für Physikalische Chemie. Volume 225, Issue 11-12, Pages 1237–1270, ISSN (Online) 2196-7156, ISSN (Print) 0942-9352, DOI: https://doi.org/10.1524/zpch.2011.0163, December 2011

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[1]
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Combustion and Flame, 2015, Volume 162, Number 5, Page 1899
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[7]
Yasar Uygun, Sakiko Ishihara, and Herbert Olivier
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[8]
Kai Moshammer, Stijn Vranckx, Harish K. Chakravarty, Prajakta Parab, Ravi X. Fernandes, and Katharina Kohse-Höinghaus
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[9]
Sijie Li, David F. Davidson, Ronald K. Hanson, Nicole J. Labbe, Phillip R. Westmoreland, Patrick Oßwald, and Katharina Kohse-Höinghaus
Combustion and Flame, 2013, Volume 160, Number 9, Page 1559
[10]
Fei Qi
Proceedings of the Combustion Institute, 2013, Volume 34, Number 1, Page 33
[11]
Nicole J. Labbe, Vikram Seshadri, Tina Kasper, Nils Hansen, Patrick Oßwald, and Phillip R. Westmoreland
Proceedings of the Combustion Institute, 2013, Volume 34, Number 1, Page 259
[12]
S.A. Skeen, B. Yang, H.A. Michelsen, J.A. Miller, A. Violi, and N. Hansen
Proceedings of the Combustion Institute, 2013, Volume 34, Number 1, Page 1067
[13]
Arnas Lucassen, Zhandong Wang, Lidong Zhang, Feng Zhang, Wenhao Yuan, Yizun Wang, Fei Qi, and Katharina Kohse-Höinghaus
Proceedings of the Combustion Institute, 2013, Volume 34, Number 1, Page 641
[14]
John M. Simmie
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[15]
Scott A. Skeen, Bin Yang, Ahren W. Jasper, William J. Pitz, and Nils Hansen
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