Near-threshold absolute photoionization cross-sections of some reaction intermediates in combustion

• Published in: International journal of mass spectrometry Vol. 269; no. 3; pp. 210 - 220
• Main Authors: Wang, Juan, Yang, Bin, Cool, Terrill A., Hansen, Nils, Kasper, Tina
• Format: Journal Article
• Language: English
• Published: United States Elsevier B.V 01-02-2008; Elsevier
• Subjects: 10 SYNTHETIC FUELS; ADVANCED LIGHT-SOURCE; CHEMICAL-DYNAMICS; Combustion chemistry; DISSOCIATIVE PHOTOIONIZATION; FUEL-RICH FLAMES; GAS-PHASE; Hydrocarbon; INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; IONIZATION POTENTIALS; MASS-SPECTROMETRY; ORGANIC-MOLECULES; PHOTOELECTRON SPECTROSCOPY; Photoionization cross-section; Photoionization mass spectrometry (PIMS); VACUUM-ULTRAVIOLET; Combustion chemistry; Photoionization mass spectrometry (PIMS); Photoionization cross-section; Hydrocarbon
• ISSN: 1387-3806; 1873-2798
• DOI: 10.1016/j.ijms.2007.10.013

The use of photoionization mass spectrometry for the development of quantitative kinetic models for the complex combustion chemistry of both conventional hydrocarbon fuels and oxygenated biofuels requires near-threshold measurements of absolute photoionization cross-sections for numerous reaction intermediates. Near-threshold absolute cross-sections for molecular and dissociative photoionization for 20 stable reaction intermediates (methane, ethane, propane,
n-butane, cyclopropane, methylcyclopentane, 1-butene,
cis-2-butene, isobutene, 1-pentene, cyclohexene, 3,3-dimethyl-1-butene, 1,3-hexadiene, 1,3-cyclohexadiene, methyl acetate, ethyl acetate, tetrahydrofuran, propanal, 1-butyne, 2-butyne) are presented. Previously measured total photoionization cross-sections for 9 of these molecules are in good agreement with the present results. The measurements are performed with photoionization mass spectrometry (PIMS) using a monochromated VUV synchrotron light source with an energy resolution of 40
meV (fwhm) comparable to that used for flame-sampling molecular beam PIMS studies of flame chemistry and reaction kinetics.