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Limononic Acid Oxidation by Hydroxyl Radicals and Ozone in the Aqueous Phase

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cris.lastimport.scopus2024-02-12T19:50:53Z
dc.abstract.enKinetics and mechanism of limononic acid (3-isopropenyl-6-oxoheptanoic acid, LA) oxidation by hydroxyl radicals (OH) and ozone (O3) were studied in the aqueous phase at 298 ± 2 K. These reactions were investigated using liquid chromatography coupled to the electrospray ionization and quadrupole tandem mass spectrometry (LC-ESI/MS/MS). The rate coefficients determined for LA + OH reaction were: 1.3 ± 0.3 × 1010 M-1 s-1 at pH = 2 and 5.7 ± 0.6 × 109 M-1 s-1 at pH = 10. The rate coefficient determined for LA ozonolysis was 4.2 ± 0.2 × 104 M-1 s-1 at pH = 2. The calculated Henry's law constant (H) for LA was ca. 6.3 × 106 M × atm-1, thereby indicating that in fogs and clouds with LWC = 0.3-0.5 g × m-3 LA will reside entirely in the aqueous phase. Calculated atmospheric lifetimes due to reaction with OH and O3 strongly indicate that aqueous-phase oxidation can be important for LA under realistic atmospheric conditions. Under acidic conditions, the aqueous-phase oxidation of LA by OH will dominate over reaction with O3, whereas the opposite is more likely when pH ≥ 4.5. The aqueous-phase oxidation of LA produced keto-limononic acid and a number of low-volatility products, such as hydroperoxy-LA and α-hydroxyhydroperoxides.
dc.affiliationUniwersytet Warszawski
dc.contributor.authorGierczak, Tomasz
dc.contributor.authorWitkowski, Bartłomiej
dc.contributor.authorJurdana, Sara
dc.date.accessioned2024-01-25T05:11:28Z
dc.date.available2024-01-25T05:11:28Z
dc.date.issued2018
dc.description.financeNie dotyczy
dc.description.number6
dc.description.volume52
dc.identifier.doi10.1021/ACS.EST.7B04867
dc.identifier.issn0013-936X
dc.identifier.urihttps://repozytorium.uw.edu.pl//handle/item/111272
dc.languageeng
dc.pbn.affiliationchemical sciences
dc.relation.ispartofEnvironmental Science & Technology
dc.relation.pages3402-3411
dc.rightsClosedAccess
dc.sciencecloudnosend
dc.titleLimononic Acid Oxidation by Hydroxyl Radicals and Ozone in the Aqueous Phase
dc.typeJournalArticle
dspace.entity.typePublication