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Title: Fast formation of nitro-pahs in the marine atmosphere constrained in a regional-scale lagrangian field experiment
Authors: Mulder, Marie D.
Dumanoğlu, Yetkin
Efstathiou, Christos
Kukucka, Petr
Matejovicova, Jana
Maurer, Christian
Pribylova, Petra
Prokes, Roman
Sofuoğlu, Aysun
Sofuoğlu, Sait Cemil
Wilson, Jake
Zetzsch, Cornelius
Wotawa, Gerhard
Lammel, Gerhard
Keywords: Atmospheric chemistry
Lagrange multipliers
Nitrogen oxides
Polycyclic aromatic hydrocarbons
Nitrogen oxides
Issue Date: Aug-2019
Publisher: American Chemical Society
Source: Mulder, M. D., Dumanoğlu, Y., Efstathiou, C., Kukucka, P., Matejovicova, J., ...Lammel, G. (2019). Fast formation of nitro-pahs in the marine atmosphere constrained in a regional-scale lagrangian field experiment. Environmental Science and Technology, 53(15), 8914-8924. doi:10.1021/acs.est.9b03090
Abstract: Polycyclic aromatic hydrocarbons (PAHs) and some of their nitrated derivatives, NPAHs, are seemingly ubiquitous in the atmospheric environment. Atmospheric lifetimes may nevertheless vary within a wide range, and be as short as a few hours. The sources and sinks of NPAH in the atmosphere are not well understood. With a Lagrangian field experiment and modeling, we studied the conversion of the semivolatile PAHs fluoranthene and pyrene into the 2-nitro derivatives 2-nitrofluoranthene and 2-nitropyrene in a cloud-free marine atmosphere on the time scale of hours to 1 day between a coastal and an island site. Chemistry and transport during several episodes was simulated by a Lagrangian box model i.e., a box model coupled to a Lagrangian particle dispersion model, FLEXPART-WRF. It is found that the chemical kinetic data do capture photochemical degradation of the 4-ring PAHs under ambient conditions on the time scale of hours to 1 day, while the production of the corresponding NPAH, which sustained 2-nitrofluoranthene/fluoranthene and 2-nitropyrene/pyrene yields of (3.7 ± 0.2) and (1.5 ± 0.1)%, respectively, is by far underestimated. Predicted levels of NPAH come close to observed ones, when kinetic data describing the reactivity of the OH-adduct were explored by means of theoretically based estimates. Predictions are also underestimated by 1-2 orders of magnitude, when NPAH/PAH yields reported from laboratory experiments conducted under high NOx conditions are adopted for the simulations. It is concluded that NPAH sources effective under low NOx conditions, are largely underestimated.
ISSN: 0013-936X
Appears in Collections:Chemical Engineering / Kimya Mühendisliği
Environmental Engineering / Çevre Mühendisliği
PubMed İndeksli Yayınlar Koleksiyonu / PubMed Indexed Publications Collection
Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
Sürdürülebilir Yeşil Kampüs Koleksiyonu / Sustainable Green Campus Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection

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