scholarly journals Regional modelling of polycyclic aromatic hydrocarbons: WRF-Chem-PAH model development and East Asia case studies

2017 ◽  
Vol 17 (19) ◽  
pp. 12253-12267
Author(s):  
Qing Mu ◽  
Gerhard Lammel ◽  
Christian N. Gencarelli ◽  
Ian M. Hedgecock ◽  
Ying Chen ◽  
...  
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
East Asia ◽  
Aromatic Hydrocarbons ◽  
Atmospheric Chemistry ◽  
Heterogeneous Reaction ◽  
Regional Modelling ◽  
Wide Range ◽  
Mass Fractions ◽  
Polycyclic Aromatic ◽  
Particulate Mass

Abstract. Polycyclic aromatic hydrocarbons (PAHs) are hazardous pollutants, with increasing emissions in pace with economic development in East Asia, but their distribution and fate in the atmosphere are not yet well understood. We extended the regional atmospheric chemistry model WRF-Chem (Weather Research Forecast model with Chemistry module) to comprehensively study the atmospheric distribution and the fate of low-concentration, slowly degrading semivolatile compounds. The WRF-Chem-PAH model reflects the state-of-the-art understanding of current PAHs studies with several new or updated features. It was applied for PAHs covering a wide range of volatility and hydrophobicity, i.e. phenanthrene, chrysene and benzo[a]pyrene, in East Asia. Temporally highly resolved PAH concentrations and particulate mass fractions were evaluated against observations. The WRF-Chem-PAH model is able to reasonably well simulate the concentration levels and particulate mass fractions of PAHs near the sources and at a remote outflow region of East Asia, in high spatial and temporal resolutions. Sensitivity study shows that the heterogeneous reaction with ozone and the homogeneous reaction with the nitrate radical significantly influence the fate and distributions of PAHs. The methods to implement new species and to correct the transport problems can be applied to other newly implemented species in WRF-Chem.

scholarly journals Regional modelling of polycyclic aromatic hydrocarbons: WRF/Chem-PAH model development and East Asia case studies

2017 ◽  
Author(s):  
Qing Mu ◽  
Gerhard Lammel ◽  
Christian N. Gencarelli ◽  
Ian M. Hedgecock ◽  
Ying Chen ◽  
...  
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
East Asia ◽  
Aromatic Hydrocarbons ◽  
Atmospheric Chemistry ◽  
Heterogeneous Reaction ◽  
Regional Modelling ◽  
Wide Range ◽  
Mass Fractions ◽  
Polycyclic Aromatic ◽  
Particulate Mass

Abstract. Polycyclic aromatic hydrocarbons (PAHs) are hazardous pollutants, with increasing emissions in pace with economic development in East Asia, but their distribution and fate in the atmosphere have not yet been well understood. We extended the regional atmospheric chemistry model WRF/Chem (Weather Research Forecast model with Chemistry module) to comprehensively study the atmospheric distribution and the fate of low concentrated, slowly degrading semivolatile compounds. The WRF/Chem-PAH model reflects the state-of-the-art understanding of current PAHs studies with several new or updated features. It was applied for PAHs covering a wide range of volatility and hydrophobicity i.e., phenanthrene, chrysene and benzo(a)pyrene, in East Asia. Temporally highly resolved PAH concentrations and particulate mass fractions were evaluated against observations. The WRF/Chem-PAH model is able to reasonably well simulate the concentration levels and particulate mass fractions of PAHs near the sources and at a remote outflow region of East Asia, in high spatial and temporal resolutions. Sensitivity study shows that the heterogeneous reaction with ozone and the homogeneous reaction with the nitrate radical significantly influence the fate and distributions of PAHs. The methods to implement new tracers and to correct the transport problems can be applied to other newly implemented tracers in WRF/Chem.

scholarly journals The Role of Methyl Groups in the Early Stage of Thermal Polymerization of Polycyclic Aromatic Hydrocarbons Revealed by Molecular Imaging

2020 ◽  
Author(s):  
Pengcheng Chen ◽  
Shadi Fatayer ◽  
Bruno Schuler ◽  
Jordan N. Metz ◽  
Leo Gross ◽  
...  
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Aromatic Hydrocarbons ◽  
Early Stage ◽  
Complex Mixture ◽  
Thermal Polymerization ◽  
Industrial Applications ◽  
Thermal Reactions ◽  
Force Microscopy ◽  
Wide Range ◽  
Polycyclic Aromatic

The initial thermal reactions of aromatic hydrocarbons are relevant to many industrial applications. However, tracking the growing number of heavy polycyclic aromatic hydrocarbon (PAH) products is extremely challenging because many reactions are unfolding in parallel from a mixture of molecules. Herein, we studied the reactions of 2,7-dimethylpyrene (DMPY) to decipher the roles of methyl substituents during mild thermal treatment. We found that the presence of methyl substituents is key for reducing the thermal severity required to initiate chemical reactions in natural molecular mixtures. A complex mixture of thermal products including monomers, dimers, and trimers were characterized by NMR, mass spectrometry and non-contact atomic force microscopy (nc-AFM). A wide range of structural transformations including methyl transfer and polymerization reactions were identified. A detailed mechanistic understanding was obtained on the roles of H radicals during the polymerization of polycyclic aromatic hydrocarbons.

Comparison of Polycyclic Aromatic Hydrocarbons Exposure Across Occupations Using Urinary Metabolite 1-Hydroxypyrene

2020 ◽  
Vol 64 (4) ◽  
pp. 445-454
Author(s):  
Dong-Hee Koh ◽  
Ju-Hyun Park ◽  
Sang-Gil Lee ◽  
Hwan-Cheol Kim ◽  
Sangjun Choi ◽  
...  
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Aromatic Hydrocarbons ◽  
Coke Production ◽  
Geometric Standard Deviation ◽  
Occupational Groups ◽  
Skin Cancers ◽  
Wide Range ◽  
Polycyclic Aromatic ◽  
High Fraction ◽  
Pah Exposure

Abstract Objectives Polycyclic aromatic hydrocarbons (PAHs) are well-known carcinogens causing lung and skin cancers in exposed workers. Certain occupations, such as coke production, have been associated with high PAH exposure; however, the number of occupations tested to date remains small. Here, we sought to compare PAH exposure across a wide range of occupations based on levels of 1-hydroxypyrene (1-OHP), the urinary exposure surrogate of PAHs. Methods We collected urine 1-OHP data from the Korean National Environmental Health Survey (KoNEHS), a nationwide biomonitoring survey. We developed a linear regression model, controlling for sex, age, smoking, and survey cycle, and obtained resulting residuals. Then, we computed the fraction of exceeding the third quartile (Q3) level of residuals for each occupation, which is employed as a relative exposure indicator across occupations. Results A total of 15 125 measurements derived from three cycles of KoNEHS were used for analysis. The overall geometric means (GMs) and geometric standard deviation (GSD) of urine 1-OHP levels were 0.16 µg g−1 creatinine and 3.07, respectively. Among the sub-major occupational groups, ‘construction and mining related elementary occupations’ showed the highest fraction (0.45) of exceeding the Q3 level of residuals. Among the minor occupational groups, ‘deliverers’ showed a high fraction (0.42) of exceeding the Q3 level of residuals, which indicates rapidly growing occupations to be addressed. Conclusions Our results provide ancillary information regarding PAH exposure across occupations, especially for occupations for which PAH exposure has not been well characterized.

Phase changes of the water hexamer and octamer in the gas phase and adsorbed on polycyclic aromatic hydrocarbons

2015 ◽  
Vol 17 (26) ◽  
pp. 17079-17089 ◽  
Author(s):  
Luiz Fernando L. Oliveira ◽  
Jérôme Cuny ◽  
Maxime Morinière ◽  
Léo Dontot ◽  
Aude Simon ◽  
...  
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Thermodynamic Properties ◽  
Gas Phase ◽  
Aromatic Hydrocarbons ◽  
Atmospheric Chemistry ◽  
Water Clusters ◽  
Phase Changes ◽  
Small Water ◽  
Polycyclic Aromatic

We investigate thermodynamic properties of small water clusters adsorbed on polycyclic aromatic hydrocarbons, which are relevant systems in the context of astrophysical and atmospheric chemistry.

Cross hybridization of plasmid and genomic DNA from aromatic and polycyclic aromatic hydrocarbon degrading bacteria

1991 ◽  
Vol 37 (12) ◽  
pp. 924-932 ◽  
Author(s):  
J. M. Foght ◽  
D. W. S. Westlake
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Aromatic Hydrocarbons ◽  
Genomic Dna ◽  
Bacterial Strains ◽  
Cross Hybridization ◽  
Pah Degradation ◽  
Naphthalene Degradation ◽  
Degrading Bacteria ◽  
Wide Range ◽  
Polycyclic Aromatic

Forty-three bacterial strains were collected from various environmental and commercial sources and their ability to degrade polycyclic aromatic hydrocarbons (PAHs) was confirmed using the criteria of growth, mineralization, and oxidation. Undigested genomic DNA from these strains was blotted by Southern transfer to replicate membranes, which were probed either with purified plasmids (e.g., TOL and NAH7, associated with toluene and naphthalene degradation, respectively) or with genomic DNA from the other strains. The isolates were grouped according to hybridization and PAH-degradation results. One group of eight strains grew on naphthalene vapors as sole carbon source and hybridized with archetypical NAH plasmids. Another group of six isolates mineralized phenanthrene but could not grow on naphthalene, and their cryptic plasmids hybridized with Pseudomonas sp. HL7b, which degrades a wide range of PAHs. The remaining isolates, which could not grow on naphthalene but mineralized and (or) oxidized a variety of PAHs, hybridized with neither the pure plasmids nor heterologous genomic DNA, implying that their PAH-degradative genes were significantly dissimilar. This suggests that using TOL or NAH plasmids to probe an environmental population might reveal toluene- or naphthalene-degradative genes but would underestimate the occurrence of PAH-degradative genes. We suggest that a suite of probes would be necessary to evaluate the PAH-degradation potential of a mixed population. Key words: polycyclic aromatic hydrocarbons, degradative plasmids, NAH plasmid, TOL plasmid, hybridization.

scholarly journals Atmospheric Behaviors of Polycyclic Aromatic Hydrocarbons in East Asia

2014 ◽  
Vol 36 (3) ◽  
pp. 152-159 ◽  
Author(s):  
Kazuichi Hayakawa ◽  
Ning Tang ◽  
Takayuki Kameda ◽  
Akira Toriba
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
East Asia ◽  
Aromatic Hydrocarbons ◽  
Polycyclic Aromatic

Distribution of polycyclic aromatic hydrocarbons in snow particulates around Longyearbyen and Barentsburg settlements, Spitsbergen

Polar Record ◽  
2016 ◽  
Vol 52 (6) ◽  
pp. 645-659 ◽  
Author(s):  
Anna Abramova ◽  
Sergei Chernianskii ◽  
Nataly Marchenko ◽  
Elena Terskaya
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Snow Cover ◽  
Aromatic Hydrocarbons ◽  
Airborne Particulate Matter ◽  
Svalbard Archipelago ◽  
Wide Range ◽  
Polycyclic Aromatic ◽  
High Concentrations ◽  
Snow Mass ◽  
Southwest Part

ABSTRACTContamination of snow cover has been investigated in the Longyearbyen (78°13 N, 15°38 E) and Barentsburg (78°3 N, 14°12 E) areas, which are situated in the southwest part of Spitsbergen (Svalbard archipelago). Snow cover was sampled in two winter seasons, 2012–2013 and 2013–2014, at 54 locations within potentially contaminated areas. Sampling incorporated the whole snow mass and was combined with morphological observations as well as thickness and density measurements. Meltwater and suspended solids were further analysed for a wide range of contaminants including polycyclic aromatic hydrocarbons (PAHs) and macro-ions. Results were contrasted with previous studies measuring the release of contaminants from snow to soil cover. It was shown in keeping with earlier studies that PAH contributions are associated with airborne particulate matter. The results, in contrast to earlier studies further demonstrated that the high concentrations of contaminants in both settlements are attributed to local sources due to combustion and industrial activity.

scholarly journals Sources of polycyclic aromatic hydrocarbons to sediments of the Bohai and Yellow Seas in East Asia

2011 ◽  
Vol 116 (D23) ◽  
pp. n/a-n/a ◽  
Author(s):  
Tian Lin ◽  
Limin Hu ◽  
Zhigang Guo ◽  
Yanwen Qin ◽  
Zuosheng Yang ◽  
...  
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
East Asia ◽  
Aromatic Hydrocarbons ◽  
Polycyclic Aromatic
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