CERN Accelerating science

Article
Title	Interactions of peroxy radicals from monoterpene and isoprene oxidation simulated in the radical volatility basis set
Author(s)	Schervish, Meredith (Carnegie Mellon U. ; UC, Irvine (main)) ; Heinritzi, Martin (Frankfurt U.) ; Stolzenburg, Dominik (Vienna U. ; Vienna U., Dept. Math.) ; Dada, Lubna (PSI, Villigen) ; Wang, Mingyi (Carnegie Mellon U. ; Chicago U.) ; Ye, Qing (Carnegie Mellon U. ; NCAR, Boulder) ; Hofbauer, Victoria (Carnegie Mellon U.) ; DeVivo, Jenna (Carnegie Mellon U.) ; Bianchi, Federico (Helsinki U. ; Helsinki Inst. of Phys.) ; Brilke, Sophia (Vienna U.) ; Duplissy, Jonathan (Helsinki U. ; Helsinki Inst. of Phys.) ; Haddad, Imad El (PSI, Villigen) ; Finkenzeller, Henning (U. Colorado, Boulder) ; He, Xu-Cheng (Helsinki U. ; Helsinki Inst. of Phys. ; Cambridge U. (main)) ; Kvashnin, Aleksander (Lebedev Inst.) ; Kim, Changhyuk (Pusan Natl. U. ; Caltech) ; Kirkby, Jasper (Frankfurt U. ; CERN) ; Kulmala, Markku (Helsinki U. ; Helsinki Inst. of Phys.) ; Lehtipalo, Katrianne (Helsinki U. ; Helsinki Inst. of Phys.) ; Lopez, Brandon (Carnegie Mellon U.) ; Makhmutov, Vladimir (Lebedev Inst. ; Moscow, MIPT) ; Mentler, Bernhard (Innsbruck U.) ; Molteni, Ugo (PSI, Villigen ; Unlisted, CH) ; Nie, Wei (Helsinki U. ; Helsinki Inst. of Phys. ; Nanjing U. (main)) ; Petäjä, Tuuka (Helsinki U. ; Helsinki Inst. of Phys.) ; Quelever, Lauriane (Helsinki U. ; Helsinki Inst. of Phys.) ; Volkamer, Rainer (U. Colorado, Boulder) ; Wagner, Andrea C (Frankfurt U. ; Tampere U. of Tech.) ; Winkler, Paul (Vienna U.) ; Yan, Chao (Helsinki U. ; Helsinki Inst. of Phys. ; Nanjing U. (main)) ; Donahue, Neil M (Carnegie Mellon U.)
Publication	2024
Number of pages	14
In:	Environ. Sci. Atmos 4 (2024) 740-753
DOI	10.1039/d4ea00056k
Subject category	Data Analysis and Statistics
Accelerator/Facility, Experiment	CERN PS ; CLOUD PS215
Abstract	Isoprene affects new particle formation rates in environments and experiments also containing monoterpenes. For the most part, isoprene reduces particle formation rates, but the reason is debated. It is proposed that due to its fast reaction with OH, isoprene may compete with larger monoterpenes for oxidants. However, by forming a large amount of peroxy-radicals (RO2), isoprene may also interfere with the formation of the nucleating species compared to a purely monoterpene system. We explore the RO2 cross reactions between monoterpene and isoprene oxidation products using the radical Volatility Basis Set (radical-VBS), a simplified reaction mechanism, comparing with observations from the CLOUD experiment at CERN. We find that isoprene interferes with covalently bound C20 dimers formed in the pure monoterpene system and consequently reduces the yields of the lowest volatility (Ultra Low Volatility Organic Carbon, ULVOC) VBS products. This in turn reduces nucleation rates, while having less of an effect on subsequent growth rates.
Copyright/License	publication: © 2024-2026 The Author(s) (License: CC BY-NC 3.0)

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