Kinetics of the gas-phase reactions of the hydroxyl radical with naphthalene, phenanthrene, and anthracene

Biermann, H. W.; Leod, H. Mac; Atkinson, Roger; Winer, Arthur M.; Pitts, James N.

doi:10.1021/es00133a004

Cited by 103 publications

(92 citation statements)

References 20 publications

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“…This rate constant ratio k 1 (anthracene)/k 2 (propene) is reasonably consistent with that of 0.48 Ϯ 0.25 obtained in our earlier study of the phenanthrene reaction [9], but is markedly lower than the rate constant ratio k 1 (anthracene)/k 2 (propene) ϭ 4.88 Ϯ 0.36 measured by Biermann et al [20] at 325 Ϯ 1 K. Combination of our present and earlier [9] data lead to a rate constant ratio k 1 (anthracene)/k 2 (propene) ϭ 0.65 Ϯ 0.2 and a rate constant of k 1 (anthracene) ϭ (1.7 Ϯ 0.6) ϫ 10 Ϫ11 cm 3 molecule Ϫ1 s Ϫ1 at room temperature. The reasons for the significant discrepancies between our present and earlier [9] rate constants for anthracene and phenanthrene [9] and those of Biermann et al [20], by factors of ca. 7.5 and ca.…”

Section: Oh Radical Reactionssupporting

confidence: 92%

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Kinetics of the gas-phase reactions of indan, indene, fluorene, and 9,10-dihydroanthracene with OH radicals, NO3 radicals, and O3

Kwok

Atkinson

Arey

1997

Int. J. Chem. Kinet.

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The kinetics of the gas-phase reactions of OH radicals, NO 3 radicals, and O 3 with indan, indene, fluorene, and 9,10-dihydroanthracene have been studied at 297 Ϯ 2 K and atmospheric pressure of air. The rate constants, or upper limits thereof, for the O 3 reactions were (in cm 3 molecule Ϫ1 s Ϫ1 units): indan, Ͻ 3 ϫ 10 Ϫ19 ; indene, (1.7 Ϯ 0.5) ϫ 10 Ϫ16 , fluorene, Ͻ 2 ϫ 10 Ϫ19 ; and 9,10-dihydroanthracene, (9.0 Ϯ 2.0) ϫ 10 Ϫ19 . Using a relative rate method, the rate constants for the OH radical and NO 3 radical reactions, respectively, were (in cm 3 molecule Ϫ1 s Ϫ1 units): indan, (1.9 Ϯ 0.5) ϫ 10 Ϫ11 and (6.6 Ϯ 2.0) ϫ 10 Ϫ15 ; indene, (7.8 Ϯ 2.0) ϫ 10 Ϫ11 and (4.1 Ϯ 1.5) ϫ 10 Ϫ12 ; fluorene, (1.6 Ϯ 0.5) ϫ 10 Ϫ11 and (3.5 Ϯ 1.2) ϫ 10 Ϫ14 ; and 9,10-dihydroanthracene, (2.3 Ϯ 0.6) ϫ 10 Ϫ11 and (1.2 Ϯ 0.4) ϫ 10 Ϫ12 . These kinetic data were used to assess the relative contributions of the various reaction pathways.

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Section: Oh Radical Reactionssupporting

confidence: 92%

“…7.5 and ca. 2.7 [9], respectively, may be due to enhanced wall losses of phenanthrene and anthracene in the presence of light in the Biermann et al [20] study.…”

Section: Oh Radical Reactionsmentioning

confidence: 83%

Kinetics of the gas-phase reactions of indan, indene, fluorene, and 9,10-dihydroanthracene with OH radicals, NO3 radicals, and O3

Kwok

Atkinson

Arey

1997

Int. J. Chem. Kinet.

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“…The reactions of the 2-to 4-ring PAH and 2-ring nitro-PAH that may be important in the atmosphere have been studied experimentally under laboratory conditions (9,(11)(12)(13)(14)19,20,(42)(43)(44)(45)(46)(47)(48)(49)(50)(51)(52)(53)(54)(55)(56)(57)(58)(59). The kinetic and product data from these studies, combined with our understanding of the atmospheric chemistry of other classes of organic compounds (30,32), allow a reasonably consistent, though still incomplete, understanding of the atmospheric chemistry of the 2-to 4-ring PAH and 2-ring nitro-PAH.…”

Section: Laboratory Studies Of Atmospheric Reactions Of Pah and Formamentioning

confidence: 99%

“…No evidence has been observed for the gasphase photolysis of the 2-to 4-ring PAH (44,46,50,54). However, photolysis of 1-and 2-nitronaphthalene and 2-methyl-Initronaphthalene has been observed under ambient outdoor sunlight conditions (13,56).…”

Section: Photolysis Ofgas-phase Pah and Niltro-pahmentioning

confidence: 99%

Atmospheric Chemistry of Gas-Phase Polycyclic Aromatic Hydrocarbons: Formation of Atmospheric Mutagens

Atkinson¹,

Arey²

1994

Environmental Health Perspectives

129

150

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The atmospheric chemistry of the 2-to 4-ring polycyclic aromatic hydrocarbons (PAH), which exist mainly in the gas phase in the atmosphere, is discussed. The dominant loss process for the gas-phase PAH is by reaction with the hydroxyl radical, resulting in calculated lifetimes in the atmosphere of generally less than one day. The hydroxyl (OH) radical-initiated reactions and nitrate (NO3) radical-initiated reactions often lead to the formation of mutagenic nitro-PAH and other nitropolycyclic aromatic compounds, including nitrodibenzopyranones. These atmospheric reactions have a significant effect on ambient mutagenic activity, indicating that health risk assessments of combustion emissions should include atmospheric transformation products. -Environ Health Perspect 102(Suppl 4): 117-126 (1994).

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“…Although the proton transfer reaction mass spectrometer might provide this capability, the commercial instrument must be modified to allow heating of internal surfaces that otherwise adsorb semi-volatile OC (Mikoviny et al 2010). Nonetheless, it has been recognized from gas-phase kinetics and product studies that such losses can be substantial (Biermann et al 1985;Wang et al 2006), and in a few studies of SOA formation 882 A. MATSUNAGA AND P. J. ZIEMANN (Kroll et al 2007;Pathak et al 2008) reduced SOA yields measured in experiments carried out in the absence of seed particles were attributed at least in part to enhanced wall losses of semivolatile reaction products. In a recent study of the temperaturedependence of SOA yields from α-pinene ozonolysis, Saarthoff et al (2009) attempted to correct their two-product yield model for losses of the semi-volatile OC product by assuming irreversible loss from the gas phase to the walls of their aluminum chamber, but to our knowledge this is the first time this has been done.…”

Section: Introductionmentioning

confidence: 99%

Gas-Wall Partitioning of Organic Compounds in a Teflon Film Chamber and Potential Effects on Reaction Product and Aerosol Yield Measurements

Matsunaga

Ziemann

2010

Aerosol Science and Technology

324

538

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Gas-wall partitioning of organic compounds (OC) that included C 8 -C 16 n-alkanes and 1-alkenes and C 8 -C 13 2-alcohols and 2-ketones was investigated in two Teflon FEP chambers whose walls were either untreated, oxidized in sunlight, or previously exposed to secondary organic aerosol (SOA). Partitioning was nearly independent of chamber treatment, reversible, and obeyed Henry's law. The fraction of an OC that partitioned to the walls at equilibrium ranged from 0 to ∼65%. Values increased with increasing carbon number within an OC class and for OC with similar vapor pressures increased in the order n-alkanes <1-alkenes <2-alcohols <2-ketones. Estimated time constants for achieving partitioning equilibrium ranged from ∼60 min for n-alkanes to ≤8 min for 2-ketones. The observations are consistent with a sorption mechanism in which OC dissolve into the film but are restricted to the near-surface region by a sharp permeability gradient that develops in response to OC-induced stresses in polymer chains.When the results were analyzed using a model analogous to one commonly employed for gas-particle partitioning, it was estimated that the sorption properties of the chamber walls were equivalent to organic aerosol mass concentrations of 2, 4, 10, and 24 mg m -3 with respect to the partitioning of n-alkanes, 1-alkenes, 2-alcohols, and 2-ketones. These values are up to ∼4 orders of magnitude larger than concentrations used in most laboratory studies of SOA, which are typically 1-10 3 µg m -3 , meaning that if full partitioning equilibrium is established in the chamber then semi-volatile OC will reside overwhelmingly in the chamber walls. Model simulations of gas-particle-wall partitioning were also carried out using the experimental data, and demonstrate quantitatively the large potential effects of Teflon walls on measured yields of gas-phase OC products and SOA.

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Kinetics of the gas-phase reactions of the hydroxyl radical with naphthalene, phenanthrene, and anthracene

Cited by 103 publications

References 20 publications

Kinetics of the gas-phase reactions of indan, indene, fluorene, and 9,10-dihydroanthracene with OH radicals, NO3 radicals, and O3

Kinetics of the gas-phase reactions of indan, indene, fluorene, and 9,10-dihydroanthracene with OH radicals, NO3 radicals, and O3

Atmospheric Chemistry of Gas-Phase Polycyclic Aromatic Hydrocarbons: Formation of Atmospheric Mutagens

Gas-Wall Partitioning of Organic Compounds in a Teflon Film Chamber and Potential Effects on Reaction Product and Aerosol Yield Measurements

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