Trace organic compounds in rain.  4.  Identities, concentrations, and scavenging mechanisms for phenols in urban air and rain

Leuenberger, Christian; Ligocki, Mary P.; Pankow, James F.

doi:10.1021/es00141a005

Cited by 141 publications

(76 citation statements)

References 19 publications

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“…This hypothesis is 30 consistent with the results of a previous study where positive correlation was found between in-cloud scavenging efficiencies of PM-bound polar organics and the substance polarity and water solubility (Limbeck and Puxbaum, 2000). This process (which potentially results in predominance of NMAHs in the dissolved phase), however, must be distinguished from the gas scavenging which was proposed by Leuenberger et al, (1985) as a dominant process for removal of volatile methylated phenols, where the predominance of these substances in the dissolved phase 35 corresponded to their abundance in the gas phase.…”

Section: Modelled Particulate Mass Fractions and Actual Fractions Remsupporting

confidence: 92%

Snow scavenging and phase partitioning of nitrated and oxygenated aromatic hydrocarbons in polluted and remote environments in central Europe and the European Arctic

Shahpoury¹,

Kitanovski²,

Lammel³

2018

Preprint

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Nitrated and oxygenated polycyclic aromatic hydrocarbons (N/OPAHs) are emitted in combustion processes and formed in polluted air. Their precipitation cycling has hardly been studied. Fresh snow samples at urban and rural sites in central Europe, as well as surface snow from a remote site in Svalbard were analysed for 17 NPAHs, 9 OPAHs, and 11 nitrated mono-aromatic hydrocarbons (NMAHs), of which most N/OPAHs as well as nitrocatechols, 5 nitrosalicylic acids, and 4-nitroguaiacol are studied for the first time in precipitation. In order to better understand the scavenging mechanisms, the particulate mass fractions (Ө) at 273K were predicted using a multiphase gas-particle partitioning model based on polyparameter linear free energy relationships. ∑NPAH concentrations were 1.2-17.6 and 8.8-19.1 ng L -1 at urban and rural sites, whereas ∑OPAHs were 0.3-1.1 and 0.5-2.4 µg L -1 at these sites, respectively.Acenaphthoquinone and 9,10-anthraquinone were predominant in snow dissolved and particulate phase, respectively. 10 NPAHs were only found in the particulate phase with 9-nitroanthracene being predominant followed by 2-nitrofluoranthene. Among NMAHs, 4-nitrophenol showed the highest abundance in both phases. The levels found for nitrophenols were in the same range or lower than those reported in the 1980s and 1990s. The lowest levels of ∑OPAHs and ∑NMAHs were found at the remote site (9.2 and 390.5 ng L -1 , respectively). N/OPAHs preferentially partitioned in snow particulate phase in accordance with predicted Ө, whereas NMAHs were predominant in the 15 dissolved phase, regardless of Ө. It is concluded that the phase distribution of non-polar N/OPAHs in snow is determined by their gas-particle partitioning prior to snow scavenging, whereas that for polar particulate phase substances, i.e. NMAHs, is determined by an interplay between gas-particle partitioning in the aerosol, particle mass size distribution, and dissolution during in-or below-cloud scavenging.Atmos. Chem. Phys. Discuss., https://doi

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Section: Modelled Particulate Mass Fractions and Actual Fractions Remsupporting

confidence: 92%

Snow scavenging and phase partitioning of nitrated and oxygenated aromatic hydrocarbons in polluted and remote environments in central Europe and the European Arctic

Shahpoury¹,

Kitanovski²,

Lammel³

2018

Preprint

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“…Gas phase/ng m −3 Cloud/µg L −1 Gas phase/ng m −3 Cloud/µg L −1 (Leuenberger et al, 1985) c Mount Brocken, Germany (Lüttke et al, 1999) d urban site, Switzerland (Leuenberger et al, 1988) e urban site, Rome, gas and particle-bound (Cecinato et al, 2005) f Vosges mountains, France (Levsen et al, 1990) g Values in parenthesis are gas phase concentrations in units of molecules cm −3…”

Section: Field Observationsmentioning

confidence: 99%

Evaluation of the pathways of tropospheric nitrophenol formation from benzene and phenol using a multiphase model

2005

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Abstract. Phenols are a major class of volatile organic compounds (VOC) whose reaction within, and partitioning between, the gas and liquid phases affects their lifetime within the atmosphere, the local oxidising capacity, and the extent of production of nitrophenols, which are toxic chemicals. In this work, a zero-dimension box model was constructed to quantify the relative importance of different nitration pathways, and partitioning into the liquid phase, of mono-aromatic compounds in order to help elucidate the formation pathways of 2-and 4-nitrophenol in the troposphere. The liquid phase contributed significantly to the production of nitrophenols for liquid water content (L c ) values exceeding 3×10 −9 , and for a range of assumed liquid droplet diameter, even though the resultant equilibrium partitioning to the liquid phase was much lower. For example, in a "typical" model scenario, with L c =3×10 −7 , 58% of nitrophenol production occurred in the liquid phase but only 2% of nitrophenol remained there, i.e. a significant proportion of nitrophenol observed in the gas phase may actually be produced via the liquid phase. The importance of the liquid phase was enhanced at lower temperatures, by a factor ∼1.5-2 at 278 K c.f. 298 K. The model showed that nitrophenol production was particularly sensitive to the values of the rate coefficients for the liquid phase reactions between phenol and OH or NO 3 reactions, but insensitive to the rate coefficient for the reaction between benzene and OH, thus identifying where further experimental data are required.

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“…Hydrophobicity (n-octanol/ water partition coeffi cients, K ow ) (8), water solubility (9)(10)(11), and acidity (8) of chlorophenols depend on the number of chlorine substituents (Table 1). At typical environmental pH values (pH=7 to 8), penta-, tetra-, and trichlorophenols are, according to their ionisation constants (pK a ), regularly present in both molecular and phenolate form (Figure 1a).…”

mentioning

confidence: 99%

Effect of Organic and Mineral Soil Fractions on Sorption Behaviour of Chlorophenol and Triazine Micropollutants

Stipičević

Fingler

Drevenkar

2009

Archives of Industrial Hygiene and Toxicology

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This article compares the sorption behaviour of 2,4,6-trichlorophenol, 2,3,4,6-tetrachlorophenol, pentachlorophenol, chlorotriazine atrazine, methylthiotriazine ametryn, methoxytriazine atratone, hydroxyatrazine, and didelakylated atrazine in a topsoil and an aquifer sediment before and after removal of sorbent organic matter and in humic acid. Freundlich isotherm coeffi cients K f and 1/n and free energy change (∆G°) were calculated for all compounds in all sorbents. According to sorbent pH values, chlorophenolate anions and uncharged triazine species dominated in all sorption experiments with topsoil and aquifer sediment. In experiments with humic acid, chlorophenols, atrazine, and didealkylated atrazine existed almost completely as neutral species, whereas protonated species dominated for hydroxyatrazine, atratone, and ametryn. In addition to a hydrophobic partition, sorption of all compounds in native soil and sediment sorbents includes specifi c, more polar interactions, which greatly depend on sorbate acidity/ basicity, specifi c properties of the sorbent organic matter and of mineral surface, as well as on the system pH. A signifi cantly greater sorption intensity of all compounds in "organic-free" than in the native aquifer sediment confi rmed the importance and possible dominance of mineral surface in the sorption process. Sorption intensity of chlorophenol and triazine compounds in humic acid was closely related to compound hydrophobicity. Greater sorption of almost completely protonated hydroxyatrazine than of the more hydropohobic but uncharged atrazine indicated different humic acid reaction sites for two compounds and consequently different sorption mechanisms.

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Trace organic compounds in rain. 4. Identities, concentrations, and scavenging mechanisms for phenols in urban air and rain

Cited by 141 publications

References 19 publications

Snow scavenging and phase partitioning of nitrated and oxygenated aromatic hydrocarbons in polluted and remote environments in central Europe and the European Arctic

Snow scavenging and phase partitioning of nitrated and oxygenated aromatic hydrocarbons in polluted and remote environments in central Europe and the European Arctic

Evaluation of the pathways of tropospheric nitrophenol formation from benzene and phenol using a multiphase model

Effect of Organic and Mineral Soil Fractions on Sorption Behaviour of Chlorophenol and Triazine Micropollutants

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