TY - JOUR
T1 - Interactions of peroxy radicals from monoterpene and isoprene oxidation simulated in the radical volatility basis set
AU - Schervish, Meredith
AU - Heinritzi, Martin
AU - Stolzenburg, Dominik
AU - Dada, Lubna
AU - Wang, Mingyi
AU - Ye, Qing
AU - Hofbauer, Victoria
AU - DeVivo, Jenna
AU - Bianchi, Federico
AU - Brilke, Sophia
AU - Duplissy, Jonathan
AU - El Haddad, Imad
AU - Finkenzeller, Henning
AU - He, Xu Cheng
AU - Kvashnin, Aleksander
AU - Kim, Changhyuk
AU - Kirkby, Jasper
AU - Kulmala, Markku
AU - Lehtipalo, Katrianne
AU - Lopez, Brandon
AU - Makhmutov, Vladimir
AU - Mentler, Bernhard
AU - Molteni, Ugo
AU - Nie, Wei
AU - Petäjä, Tuuka
AU - Quéléver, Lauriane
AU - Volkamer, Rainer
AU - Wagner, Andrea C.
AU - Winkler, Paul
AU - Yan, Chao
AU - Donahue, Neil M.
N1 - Publisher Copyright:
© 2024 RSC.
PY - 2024/6/24
Y1 - 2024/6/24
N2 - 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.
AB - 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.
UR - https://www.scopus.com/pages/publications/85196955458
U2 - 10.1039/d4ea00056k
DO - 10.1039/d4ea00056k
M3 - Article
AN - SCOPUS:85196955458
SN - 2634-3606
VL - 4
SP - 740
EP - 753
JO - Environmental Science: Atmospheres
JF - Environmental Science: Atmospheres
IS - 7
ER -