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@article{1639339,
author = {Mulder, Marie Daniëlle and Dumanoglu, Y. and Efstathiou, Christos and Kukučka, Petr and Matejovičová, Jana and Maurer, Christian and Přibylová, Petra and Prokeš, Roman and Sofuoglu, A. and Sofuoglu, S.C. and Wilson, J. and Zetzsch, C. and Wotawa, G. and Lammel, Gerhard},
article_location = {WASHINGTON},
article_number = {15},
doi = {http://dx.doi.org/10.1021/acs.est.9b03090},
keywords = {POLYCYCLIC AROMATIC-HYDROCARBONS; GAS-PHASE REACTIONS; RADICAL-INITIATED REACTIONS; CHEMICAL-TRANSPORT MODEL; LIQUID-VAPOR PRESSURES; PARTICULATE MATTER; ORGANIC-COMPOUNDS; CONSECUTIVE REACTIONS; DRY DEPOSITION; AMBIENT AIR},
language = {eng},
issn = {0013-936X},
journal = {ENVIRONMENTAL SCIENCE & TECHNOLOGY},
title = {Fast Formation of Nitro-PAHs in the Marine Atmosphere Constrained in a Regional-Scale Lagrangian Field Experiment},
url = {https://pubs.acs.org/doi/10.1021/acs.est.9b03090},
volume = {53},
year = {2019}
}
TY - JOUR
ID - 1639339
AU - Mulder, Marie Daniëlle - Dumanoglu, Y. - Efstathiou, Christos - Kukučka, Petr - Matejovičová, Jana - Maurer, Christian - Přibylová, Petra - Prokeš, Roman - Sofuoglu, A. - Sofuoglu, S.C. - Wilson, J. - Zetzsch, C. - Wotawa, G. - Lammel, Gerhard
PY - 2019
TI - Fast Formation of Nitro-PAHs in the Marine Atmosphere Constrained in a Regional-Scale Lagrangian Field Experiment
JF - ENVIRONMENTAL SCIENCE & TECHNOLOGY
VL - 53
IS - 15
SP - 8914-8924
EP - 8914-8924
PB - AMER CHEMICAL SOC
SN - 0013936X
KW - POLYCYCLIC AROMATIC-HYDROCARBONS
KW - GAS-PHASE REACTIONS
KW - RADICAL-INITIATED REACTIONS
KW - CHEMICAL-TRANSPORT MODEL
KW - LIQUID-VAPOR PRESSURES
KW - PARTICULATE MATTER
KW - ORGANIC-COMPOUNDS
KW - CONSECUTIVE REACTIONS
KW - DRY DEPOSITION
KW - AMBIENT AIR
UR - https://pubs.acs.org/doi/10.1021/acs.est.9b03090
L2 - https://pubs.acs.org/doi/10.1021/acs.est.9b03090
N2 - 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.
ER -
MULDER, Marie Dani$\backslash$''elle, Y. DUMANOGLU, Christos EFSTATHIOU, Petr KUKUČKA, Jana MATEJOVIČOVÁ, Christian MAURER, Petra PŘIBYLOVÁ, Roman PROKEŠ, A. SOFUOGLU, S.C. SOFUOGLU, J. WILSON, C. ZETZSCH, G. WOTAWA and Gerhard LAMMEL. Fast Formation of Nitro-PAHs in the Marine Atmosphere Constrained in a Regional-Scale Lagrangian Field Experiment. \textit{ENVIRONMENTAL SCIENCE \&{}amp; TECHNOLOGY}. WASHINGTON: AMER CHEMICAL SOC, 2019, vol.~53, No~15, p.~8914-8924. ISSN~0013-936X. Available from: https://dx.doi.org/10.1021/acs.est.9b03090.
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