Propionaldehyde infrared cross-sections and band strengths

    Authors

    B. Koroglu; Z. Loparo; J. Nath; R. E. Peale;S. S. Vasu

    Comments

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    Abbreviated Journal Title

    J. Quant. Spectrosc. Radiat. Transf.

    Keywords

    FTIR; Propionaldehyde; Propanal; Cross-section; Band strength; VIBRATIONAL-SPECTRA; AIR-QUALITY; COMBUSTION CHEMISTRY; MICROWAVE-SPECTRUM; INTERNAL-ROTATION; BIODIESEL BLENDS; ETHANOL E85; EMISSIONS; BIOFUELS; GASOLINE; Spectroscopy

    Abstract

    The use of oxygenated biofuels reduces the greenhouse gas emissions; however, they also result in increased toxic aldehyde by-products, mainly formaldehyde, acetaldehyde, acrolein, and propionaldehy.de. These aldehydes are carcinogenic and/or toxic and therefore it is important to understand their formation and destruction pathways in combustion and atmospheric systems. Accurate information about their infrared cross-sections and integrated strengths are crucially needed for development of quantitative detection schemes and modeling tools. Critical to the development of such diagnostics are accurate characterization of the absorption features of these species. In this study, the gas phase infrared spectra of propionaldehyde (also called propanal, CH3-CH2-CHO), a saturated three carbon aldehyde found in the exhaust emissions of biodiesel or diesel fuels, was studied using high resolution Fourier Transform Infrared (FTIR) spectroscopy over the wavenumber range of 750-3300 cm(-1) and at room temperature 295 K. The absorption cross sections of propionaldehyde were recorded at resolutions of 0.08 and 0.096 cm(-1) and at seven different pressures (4-33 Torr). The calculated band-strengths were reported and the integrated band intensity results were compared with values taken from the Pacific Northwest National Laboratory (PNNL) database (showing less than 2% discrepancy). The peak positions of the 19 different vibrational bands of propionaldehyde were also compared with previous studies taken at a lower resolution of I cm(-1). To the best of our knowledge, the current FTIR measurements provide the first highest resolution infrared cross section data for propionaldehyde. (C) 2014 Elsevier Ltd. All rights reserved.

    Journal Title

    Journal of Quantitative Spectroscopy & Radiative Transfer

    Volume

    152

    Publication Date

    1-1-2015

    Document Type

    Article

    Language

    English

    First Page

    107

    Last Page

    113

    WOS Identifier

    WOS:000348959700009

    ISSN

    0022-4073

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