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Zeitschrift für Physikalische Chemie

International journal of research in physical chemistry and chemical physics

Ed. by Weitzel, Karl-Michael

12 Issues per year


IMPACT FACTOR increased in 2013: 1.178

SCImago Journal Rank (SJR): 0.472
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Identification of Tetrahydrofuran Reaction Pathways in Premixed Flames

Tina Kasper* / Arnas Lucassen1 / Ahren W. Jasper2 / Wenjun Li3 / Philip R. Westmoreland4 / Katharina Kohse-Höinghaus5 / Bin Yang6 / Juan Wang7 / Terrill A. Cool8 / Nils Hansen9

1 Bielefeld University, Department of Chemistry, Bielefeld, Deutschland

2 Sandia National Laboratories, Combustion Research Facility, Livermore, CA 94551, U.S.A.

3 North Carolina State University, Department of Chemical and Biomolecular Engineerin, Raleigh, NC 27695, U.S.A.

4 North Carolina State University, Department of Chemical and Biomolecular Engineerin, Raleigh, NC 27695, U.S.A.

5 Bielefeld University, Department of Chemistry, Bielefeld, Deutschland

6 Cornell University, School of Applied Engineering Physics, Ithaca, NY 14853, U.S.A.

7 Cornell University, School of Applied Engineering Physics, Ithaca, NY 14853, U.S.A.

8 Cornell University, School of Applied Engineering Physics, Ithaca, NY 14853, U.S.A.

9 Sandia National Laboratories, Combustion Research Facility, Livermore, CA 94551, U.S.A.

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

Citation Information: Zeitschrift für Physikalische Chemie International journal of research in physical chemistry and chemical physics. Volume 225, Issue 11-12, Pages 1237–1270, ISSN (Print) 0942-9352, DOI: 10.1524/zpch.2011.0163, December 2011

Publication History

Published Online:
2011-12-14

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

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