Journal
ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS
Volume 225, Issue 11-12, Pages 1237-1270Publisher
WALTER DE GRUYTER GMBH
DOI: 10.1524/zpch.2011.0163
Keywords
Combustion Chemistry; Laminar Flames; Molecular Beam Mass Spectrometry; Tetrahydrofuran; Biofuel
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Funding
- Office of Basic Energy Sciences (BES), U.S. Department of Energy (DOE) [DE-FG02-01ER1518 (TAC), DE-FG02-91ER14192 (PRW)]
- DFG [KO 1363/18-3]
- MIWF of the state of North Rhine Westphalia, Germany
- U.S. DOE, Office of Basic Energy Sciences under the Energy Frontier Research Center for Combustion Science [DE-SC0001198]
- NNSA [DE-AC04-94-AL85000]
- DOE/BES [DE-AC02-05CH11231]
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Premixed low-pressure tetrahydrofuran/oxygen/argon flames are investigated by photoionization molecular-beam mass spectrometry using vacuum-ultraviolet synchrotron radiation. For two equivalence ratios (phi = 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 (H-2) 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 (phi = 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.
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