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The impact of multiphase reactions of NO<sub>2</sub> with aromatics: a modelling approach

Authors: Ch. George; L. Gutzwiller; Markus Ammann; N. Lahoutifard; N. Lahoutifard; Barbara Ervens; Barbara Ervens;

The impact of multiphase reactions of NO<sub>2</sub> with aromatics: a modelling approach

Abstract

Abstract. The impact of multiphase reactions involving nitrogen dioxide (NO2) and aromatic compounds was simulated in this study. A mechanism (CAPRAM 2.4, MODAC Mechanism) was applied for the aqueous phase reactions, whereas RACM was applied for the gas phase chemistry. Liquid droplets were considered as monodispersed with a mean radius of 0.1 µm and a liquid content (LC) of 50 µg m-3. The multiphase mechanism has been further extended to the chemistry of aromatics, i.e. reactions involving benzene, toluene, xylene, phenol and cresol have been added. In addition, reaction of NO2 with dissociated hydroxyl substituted aromatic compounds has also been implemented. These reactions proceed through charge exchange leading to nitrite ions and therefore to nitrous acid formation. The strength of this source was explored under urban polluted conditions. It was shown that it may increase gas phase HONO levels under some conditions and that the extent of this effect is strongly pH dependent. Especially under moderate acidic conditions (i.e. pH above 4) this source may represent more than 75% of the total HONO/NO2 - production rate, but this contribution drops down close to zero in acidic droplets (as those often encountered in urban environments).

Country
France
Keywords

[SDU.OCEAN]Sciences of the Universe [physics]/Ocean, Atmosphere, [ SDU.OCEAN ] Sciences of the Universe [physics]/Ocean, Atmosphere, [SDU.OCEAN]Sciences of the Universe [physics]/Ocean, Atmosphere, Physics, QC1-999, 540, Chemistry, [SDU.OCEAN] Sciences of the Universe/Ocean, Atmosphere, QD1-999

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    popularity
    This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
    Average
    influence
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citations
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
15
Average
Average
Average
Green
gold