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DOI	10.5194/acp-20-8293-2020
	Measured solid state and subcooled liquid vapour pressures of nitroaromatics using Knudsen effusion mass spectrometry
	Shelley P.D.; Bannan T.J.; Worrall S.D.; Rami Alfarra M.; Krieger U.K.; Percival C.J.; Garforth A.; Topping D.
发表日期	2020
ISSN	1680-7316
起始页码	8293
结束页码	8314
卷号	20 期号:14
英文摘要	Knudsen effusion mass spectrometry (KEMS) was used to measure the solid state saturation vapour pressure (PsatS) of a range of atmospherically relevant nitroaromatic compounds over the temperature range from 298 to 328 K. The selection of species analysed contained a range of geometric isomers and differing functionalities, allowing for the impacts of these factors on saturation vapour pressure (Psat) to be probed. Three subsets of nitroaromatics were investigated: Nitrophenols, nitrobenzaldehydes and nitrobenzoic acids. The Psat S values were converted to subcooled liquid saturation vapour pressure (PsatL) values using experimental enthalpy of fusion and melting point values measured using differential scanning calorimetry (DSC). The PsatL values were compared to those estimated by predictive techniques and, with a few exceptions, were found to be up to 7 orders of magnitude lower. The large differences between the estimated Psat L and the experimental values can be attributed to the predictive techniques not containing parameters to adequately account for functional group positioning around an aromatic ring, or the interactions between said groups. When comparing the experimental Psat S of the measured compounds, the ability to hydrogen bond (H bond) and the strength of the H bond formed appear to have the strongest influence on the magnitude of the Psat, with steric effects and molecular weight also being major factors. Comparisons were made between the KEMS system and data from diffusion-controlled evaporation rates of single particles in an electrodynamic balance (EDB). The KEMS and the EDB showed good agreement with each other for the compounds investigated. © 2020 Copernicus GmbH. All rights reserved.
语种	英语
scopus关键词	atmospheric chemistry; concentration (composition); electrodynamics; experimental study; mass spectrometry; molecular analysis; solid; vapor pressure
来源期刊	ATMOSPHERIC CHEMISTRY AND PHYSICS
文献类型	期刊论文
条目标识符	http://gcip.llas.ac.cn/handle/2XKMVOVA/247645
作者单位	Department of Earth and Environmental Sciences, University of Manchester, Manchester, United Kingdom; Aston Institute of Materials Research, School of Engineering and Applied Science, Aston University, Birmingham, United Kingdom; National Centre for Atmospheric Science (NCAS), University of Manchester, Manchester, United Kingdom; Institute for Atmospheric and Climate Science, ETH Zurich, Zurich, Switzerland; NASA Jet Propulsion Laboratory, California Institute of Technology, 4800 Oak Grove Dr, Pasadena, CA 91109, United States; Department of Chemical Engineering and Analytical Science, University of Manchester, Manchester, United Kingdom
推荐引用方式 GB/T 7714	Shelley P.D.,Bannan T.J.,Worrall S.D.,et al. Measured solid state and subcooled liquid vapour pressures of nitroaromatics using Knudsen effusion mass spectrometry[J],2020,20(14).
APA	Shelley P.D..,Bannan T.J..,Worrall S.D..,Rami Alfarra M..,Krieger U.K..,...&Topping D..(2020).Measured solid state and subcooled liquid vapour pressures of nitroaromatics using Knudsen effusion mass spectrometry.ATMOSPHERIC CHEMISTRY AND PHYSICS,20(14).
MLA	Shelley P.D.,et al."Measured solid state and subcooled liquid vapour pressures of nitroaromatics using Knudsen effusion mass spectrometry".ATMOSPHERIC CHEMISTRY AND PHYSICS 20.14(2020).