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Measured Solid State and Sub-Cooled Liquid Vapour Pressures of Benzaldehydes Using Knudsen Effusion Mass Spectrometry

1
Department of Earth and Environmental Sciences, The University of Manchester, Manchester M13 9PL, UK
2
Aston Institute of Materials Research, School of Engineering and Applied Science, Aston University, Birmingham B4 7ET, UK
3
National Centre for Atmospheric Science (NCAS), The University of Manchester, Manchester M13 9PL, UK
4
NASA Jet Propulsion Laboratory, California Institute of Technology, 4800 Oak Grove Dr, Pasadena, CA 91109, USA
5
Department of Chemical Engineering & Analytical Science, The University of Manchester, Manchester M1 3AL, UK
*
Author to whom correspondence should be addressed.
Academic Editor: Armando da Costa Duarte
Atmosphere 2021, 12(3), 397; https://doi.org/10.3390/atmos12030397
Received: 2 February 2021 / Revised: 16 March 2021 / Accepted: 17 March 2021 / Published: 19 March 2021
(This article belongs to the Section Aerosols)
Benzaldehydes are components of atmospheric aerosol that are poorly represented in current vapour pressure predictive techniques. In this study the solid state (PSsat) and sub-cooled liquid saturation vapour pressures (PLsat) were measured over a range of temperatures (298–328 K) for a chemically diverse group of benzaldehydes. The selected benzaldehydes allowed for the effects of varied geometric isomers and functionalities on saturation vapour pressure (Psat) to be probed. PSsat was measured using Knudsen effusion mass spectrometry (KEMS) and PLsat was obtained via a sub-cooled correction utilising experimental enthalpy of fusion and melting point values measured using differential scanning calorimetry (DSC). The strength of the hydrogen bond (H-bond) was the most important factor for determining PLsat when a H-bond was present and the polarisability of the compound was the most important factor when a H-bond was not present. Typically compounds capable of hydrogen bonding had PLsat 1 to 2 orders of magnitude lower than those that could not H-bond. The PLsat were compared to estimated values using three different predictive techniques (Nannoolal et al. vapour pressure method, Myrdal and Yalkowsky method, and SIMPOL). The Nannoolal et al. vapour pressure method and the Myrdal and Yalkowsky method require the use of a boiling point method to predict Psat. For the compounds in this study the Nannoolal et al. boiling point method showed the best performance. All three predictive techniques showed less than an order of magnitude error in PLsat on average, however more significant errors were within these methods. Such errors will have important implications for studies trying to ascertain the role of these compounds on aerosol growth and human health impacts. SIMPOL predicted PLsat the closest to the experimentally determined values. View Full-Text
Keywords: secondary organic aerosol; vapour pressure; KEMS; group contribution method (GCM); benzaldehyde secondary organic aerosol; vapour pressure; KEMS; group contribution method (GCM); benzaldehyde
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MDPI and ACS Style

Shelley, P.; Bannan, T.J.; Worrall, S.D.; Alfarra, M.R.; Percival, C.J.; Garforth, A.; Topping, D. Measured Solid State and Sub-Cooled Liquid Vapour Pressures of Benzaldehydes Using Knudsen Effusion Mass Spectrometry. Atmosphere 2021, 12, 397. https://doi.org/10.3390/atmos12030397

AMA Style

Shelley P, Bannan TJ, Worrall SD, Alfarra MR, Percival CJ, Garforth A, Topping D. Measured Solid State and Sub-Cooled Liquid Vapour Pressures of Benzaldehydes Using Knudsen Effusion Mass Spectrometry. Atmosphere. 2021; 12(3):397. https://doi.org/10.3390/atmos12030397

Chicago/Turabian Style

Shelley, Petroc, Thomas J. Bannan, Stephen D. Worrall, M. R. Alfarra, Carl J. Percival, Arthur Garforth, and David Topping. 2021. "Measured Solid State and Sub-Cooled Liquid Vapour Pressures of Benzaldehydes Using Knudsen Effusion Mass Spectrometry" Atmosphere 12, no. 3: 397. https://doi.org/10.3390/atmos12030397

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