Articles | Volume 23, issue 13
https://doi.org/10.5194/acp-23-7767-2023
https://doi.org/10.5194/acp-23-7767-2023
Research article
 | 
14 Jul 2023
Research article |  | 14 Jul 2023

Atmospheric oxidation of new “green” solvents – Part 2: methyl pivalate and pinacolone

Caterina Mapelli, James K. Donnelly, Úna E. Hogan, Andrew R. Rickard, Abbie T. Robinson, Fergal Byrne, Con Rob McElroy, Basile F. E. Curchod, Daniel Hollas, and Terry J. Dillon

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Cited articles

Atkinson, R., Baulch, D. L., Cox, R. A., Crowley, J. N., Hampson, R. F., Hynes, R. G., Jenkin, M. E., Rossi, M. J., Troe, J., and IUPAC Subcommittee: Evaluated kinetic and photochemical data for atmospheric chemistry: Volume II – gas phase reactions of organic species, Atmos. Chem. Phys., 6, 3625–4055, https://doi.org/10.5194/acp-6-3625-2006, 2006. 
Barbatti, M.: NEWTON-X a package for Newtonian dynamics close to the crossing seam Documentation based on NEWTON-X version 1.4, Technical report, https://doi.org/10.13140/2.1.4713.0561, 2013 (code available at: https://newtonx.org/download/). 
Barbatti, M., Ruckenbauer, M., Plasser, F., Pittner, J., Granucci, G., Persico, M., and Lischka, H.: Newton-X: a surface-hopping program for nonadiabatic molecular dynamics, WIREs Comp. Mol. Science, 4, 26–33, https://doi.org/10.1002/wcms.1158, 2014. 
Brewer, J. F., Papanastasiou, D. K., Burkholder, J. B., Fischer, E. V., Ren, Y., Mellouki, A., and Ravishankara, A. R.: Atmospheric Photolysis of Methyl Ethyl, Diethyl, and Propyl Ethyl Ketones: Temperature-Dependent UV Absorption Cross Sections, J. Geophys. Res., 124, 5906–5918, https://doi.org/10.1029/2019JD030391, 2019. 
Byrne, F., Forier, B., Bossaert, G., Hoebers, C., Farmer, T. J., Clark, J. H., and Hunt, A. J.: 2,2,5,5-Tetramethyltetrahydrofuran (TMTHF): a non-polar, non-peroxide forming ether replacement for hazardous hydrocarbon solvents, Green Chem., 19, 3671–3678, https://doi.org/10.1039/C7GC01392B, 2017. 
Short summary
Solvents are chemical compounds with countless uses in the chemical industry, and they also represent one of the main sources of pollution in the chemical sector. Scientists are trying to develop new green safer solvents which present favourable advantages when compared to traditional solvents. Since the assessment of these green solvents often lacks air quality considerations, this study aims to understand the behaviour of these compounds, investigating their reactivity in the troposphere.
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