scholarly journals A G4MP2 theoretical study on the gas phase enthalpies of formation for various polycyclic aromatic hydrocarbons (PAHs) and other C10 through C20 unsaturated hydrocarbons

2011 ◽  
Author(s):  
Sierra Rayne ◽  
Sierra Rayne ◽  
Kaya Forest
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Gas Phase ◽  
Aromatic Hydrocarbons ◽  
Theoretical Study ◽  
Enthalpies Of Formation ◽  
Unsaturated Hydrocarbons ◽  
Polycyclic Aromatic

scholarly journals Molecular growth of PAH-like systems induced by oxygen species: experimental and theoretical study of the reaction of naphthalene with HO (2Π3/2), O (3P), and O2 (3Σ−g)

RSC Advances ◽  
2015 ◽  
Vol 5 (48) ◽  
pp. 38581-38590 ◽  
Author(s):  
Marco Scapinello ◽  
Luca Matteo Martini ◽  
Paolo Tosi ◽  
Andrea Maranzana ◽  
Glauco Tonachini
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Aromatic Hydrocarbons ◽  
Gas Flow ◽  
Theoretical Study ◽  
Oxygen Species ◽  
Polycyclic Aromatic ◽  
Mass Increase

To assess if reactions with oxygen species can induce a mass increase of polycyclic aromatic hydrocarbons, we exposed naphthalene molecules to an oxidative gas flow containing the radicals H and HO (2Π3/2) and the diradicals O (3P) and O2 (3Σ−g).

scholarly journals Study of passive sampling of polycyclic aromatic hydrocarbons in gas phase using Amberlite XAD resins as filling materials of semipermeable membranes

2013 ◽  
Vol 110 ◽  
pp. 494-500 ◽  
Author(s):  
Luis Gustavo T. dos Reis ◽  
Daniel Gallart-Mateu ◽  
Wagner F. Pacheco ◽  
Agustín Pastor ◽  
Miguel de la Guardia ◽  
...  
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Gas Phase ◽  
Aromatic Hydrocarbons ◽  
Passive Sampling ◽  
Semipermeable Membranes ◽  
Filling Materials ◽  
Polycyclic Aromatic ◽  
Xad Resins

scholarly journals Variability of polycyclic aromatic hydrocarbons and their oxidative derivatives in wintertime Beijing, China

2019 ◽  
Vol 19 (13) ◽  
pp. 8741-8758 ◽  
Author(s):  
Atallah Elzein ◽  
Rachel E. Dunmore ◽  
Martyn W. Ward ◽  
Jacqueline F. Hamilton ◽  
Alastair C. Lewis
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Gas Phase ◽  
Aromatic Hydrocarbons ◽  
Total Concentration ◽  
Diagnostic Ratios ◽  
Strong Positive Correlation ◽  
Night Time ◽  
Naphthalic Anhydride ◽  
Positive Correlation ◽  
Polycyclic Aromatic

Abstract. Ambient particulate matter (PM) can contain a mix of different toxic species derived from a wide variety of sources. This study quantifies the diurnal variation and nocturnal abundance of 16 polycyclic aromatic hydrocarbons (PAHs), 10 oxygenated PAHs (OPAHs) and 9 nitrated PAHs (NPAHs) in ambient PM in central Beijing during winter. Target compounds were identified and quantified using gas chromatography–time-of-flight mass spectrometry (GC-Q-ToF-MS). The total concentration of PAHs varied between 18 and 297 ng m−3 over 3 h daytime filter samples and from 23 to 165 ng m−3 in 15 h night-time samples. The total concentrations of PAHs over 24 h varied between 37 and 180 ng m−3 (mean: 97±43 ng m−3). The total daytime concentrations during high particulate loading conditions for PAHs, OPAHs and NPAHs were 224, 54 and 2.3 ng m−3, respectively. The most abundant PAHs were fluoranthene (33 ng m−3), chrysene (27 ng m−3), pyrene (27 ng m−3), benzo[a]pyrene (27 ng m−3), benzo[b]fluoranthene (25 ng m−3), benzo[a]anthracene (20 ng m−3) and phenanthrene (18 ng m−3). The most abundant OPAHs were 9,10-anthraquinone (18 ng m−3), 1,8-naphthalic anhydride (14 ng m−3) and 9-fluorenone (12 ng m−3), and the three most abundant NPAHs were 9-nitroanthracene (0.84 ng m−3), 3-nitrofluoranthene (0.78 ng m−3) and 3-nitrodibenzofuran (0.45 ng m−3). ∑PAHs and ∑OPAHs showed a strong positive correlation with the gas-phase abundance of NO, CO, SO2 and HONO, indicating that PAHs and OPAHs can be associated with both local and regional emissions. Diagnostic ratios suggested emissions from traffic road and coal combustion were the predominant sources of PAHs in Beijing and also revealed the main source of NPAHs to be secondary photochemical formation rather than primary emissions. PM2.5 and NPAHs showed a strong correlation with gas-phase HONO. 9-Nitroanthracene appeared to undergo a photodegradation during the daytime and showed a strong positive correlation with ambient HONO (R=0.90, P < 0.001). The lifetime excess lung cancer risk for those species that have available toxicological data (16 PAHs, 1 OPAH and 6 NPAHs) was calculated to be in the range 10−5 to 10−3 (risk per million people ranges from 26 to 2053 cases per year).

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