Mathematical model for gas-particle partitioning of secondary organic aerosols

Bowman, Frank M.; Odum, Jay R.; Seinfeld, John H.; Pandis, Spyros Ν.

doi:10.1016/s1352-2310(97)00245-8

Cited by 161 publications

(126 citation statements)

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“…Simulating their outdoor smog chamber experiments on the photooxidation of m-xylene in the presence of NO x , Bowman et al (1997) estimated γ to have a value between 0.1 and 1, with γ =0.2 resulting in a good fit to their experimental observations. This value has subsequently been adopted in other studies, but many workers still prefer the limiting value 1.0.…”

Section: Parameters Of the Two Effective Soa Forming Products (Proxies)mentioning

confidence: 99%

Temperature dependence of yields of secondary organic aerosols from the ozonolysis of α-pinene and limonene

Saathoff¹,

Naumann²,

Möhler³

et al. 2009

Atmos. Chem. Phys.

201

181

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Abstract. Secondary organic aerosol (SOA) formation has been investigated as a function of temperature and humidity for the ozone-initiated reaction of the two monoterpenes α-pinene (243-313 K) and limonene (253-313 K) using the 84.5 m 3 aerosol chamber AIDA. This paper gives an overview of the measurements done and presents parameters specifically useful for aerosol yield calculations. The ozonolysis reaction, selected oxidation products and subsequent aerosol formation were followed using several analytical techniques for both gas and condensed phase characterisation. The effective densities of the SOA were determined by comparing mass and volume size distributions to (1.25±0.10) g cm −3 for α-pinene and (1.3±0.2) g cm −3 for limonene. The detailed aerosol dynamics code COSIMA-SOA proved to be essential for a comprehensive evaluation of the experimental results and for providing parameterisations directly applicable within atmospheric models. The COSIMA-assisted analysis succeeded to reproduce the observed time evolutions of SOA total mass, number and size distributions by adjusting the following properties of two oxidation product proxies: individual yield parameters (α i ), partitioning coefficients (K i ), vapour pressures (p i ) and effective accommodation coefficients (γ i ). For these properties temperature dependences were derived and parameterised. Vapour pressures and partitioning coefficients followed classical Clausius -Clapeyron temperature dependences. From this relationship enthalpies of vaporisation were derived for the two more and less volatile product proxies of α-pinene: (59±8) kJ mol −1 and (24±9) kJ mol −1 , and limonene: (55±14) kJ mol −1 and (25±12) kJ mol −1 . The more volatile proxy components had a notably low enthalpy Correspondence to: H. Saathoff (harald.saathoff@imk.fzk.de) of vaporisation while the less volatile proxy components gave enthalpies of vaporisation comparable with those of typical products from α-pinene oxidation, e.g. pinonaldehyde and pinonic acid.

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Section: Parameters Of the Two Effective Soa Forming Products (Proxies)mentioning

confidence: 99%

Temperature dependence of yields of secondary organic aerosols from the ozonolysis of α-pinene and limonene

Saathoff¹,

Naumann²,

Möhler³

et al. 2009

Atmos. Chem. Phys.

201

181

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“…Particle number and volume were wall-loss corrected using the method of Bowman et al (1997). Particle-mass loading was calculated assuming a unit density.…”

Section: Instrumentsmentioning

confidence: 99%

Secondary organic aerosol formation from the photooxidation of isoprene, 1,3-butadiene, and 2,3-dimethyl-1,3-butadiene under high NOx conditions

et al. 2011

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Abstract. Secondary organic aerosol (SOA) formation from atmospheric oxidation of isoprene has been the subject of multiple studies in recent years; however, reactions of other conjugated dienes emitted from anthropogenic sources remain poorly understood. SOA formation from the photooxidation of isoprene, isoprene-1-13 C, 1,3-butadiene, and 2,3-dimethyl-1,3-butadiene is investigated for high NO x conditions. The SOA yield measured in the 1,3-butadiene/NO x /H 2 O 2 irradiation system (0.089-0.178) was close to or slightly higher than that measured with isoprene under similar NO x conditions (0.077-0.103), suggesting that the photooxidation of 1,3-butadiene is a possible source of SOA in urban air. In contrast, a very small amount of SOA particles was produced in experiments with 2,3-dimethyl-1,3-butadiene. Off-line liquid chromatography -mass spectrometry analysis revealed that the signals of oligoesters comprise a major fraction (0.10-0.33) of the signals of the SOA products observed from all dienes investigated. The oligoesters originate from the unsaturated aldehyde gas phase diene reaction products; namely, semi-volatile compounds produced by the oxidation of the unsaturated aldehyde undergo particle-phase oligoester formation. Oligoesters produced by the dehydration reaction between nitrooxypolyol and 2-methylglyceric acid monomer or its oligomer were also characterized in these experiments with isoprene as the Correspondence to: D. R. Cocker III (dcocker@engr.ucr.edu) starting diene. These oligomers are possible sources of the 2-methyltetrols found in ambient aerosol samples collected under high NO x conditions. Furthermore, in low-temperature experiments also conducted in this study, the SOA yield measured with isoprene at 278 K was 2-3 times as high as that measured at 300 K under similar concentration conditions. Although oligomerization plays an important role in SOA formation from isoprene photooxidation, the observed temperature dependence of SOA yield is largely explained by gas/particle partitioning of semi-volatile compounds.

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“…Environmental chamber experiments, molecular chemical analyses, kinetic and mechanistic studies of the chemical reactions, and detailed modeling have been conducted to improve the understanding of the SOC formation and its contribution to PM 2.5 . 7,19,[23][24][25][26][27][28][29][30][31][32][33][34][35][36][37][38][39] These studies show that SOC can be between 15% and 60% of the total OC, demonstrating the importance of the SOC contribution to total OC and, therefore, PM 2.5 . The studies suggest that SOC formation processes are complex and that even the most detailed models have substantial uncertainties.…”

Section: Secondary Organic Aerosol Formationmentioning

confidence: 99%

Processes Influencing Secondary Aerosol Formation in the San Joaquin Valley during Winter

Brown

McCarthy

Roberts

2006

Journal of the Air & Waste Management Association

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Air quality data collected in the California Regional PM 10 / PM 2.5 Air Quality Study (CRPAQS) are analyzed to qualitatively assess the processes affecting secondary aerosol formation in the San Joaquin Valley (SJV). This region experiences some of the highest fine particulate matter (PM 2.5 ) mass concentrations in California (Յ188 g/m 3 24-hr average), and secondary aerosol components (as a group) frequently constitute over half of the fine aerosol mass in winter. The analyses are based on 15 days of high-frequency filter and canister measurements and several months of wintertime continuous gas and aerosol measurements. The phase-partitioning of nitrogen oxide (NO x )-related nitrogen species and carbonaceous species shows that concentrations of gaseous precursor species are far more abundant than measured secondary aerosol nitrate or estimated secondary organic aerosols. Comparisons of ammonia and nitric acid concentrations indicate that ammonium nitrate formation is limited by the availability of nitric acid rather than ammonia. Time-resolved aerosol nitrate data collected at the surface and on a 90-m tower suggest that both the daytime and nighttime nitric acid formation pathways are active, and entrainment of aerosol nitrate formed aloft at night may explain the spatial homogeneity of nitrate in the SJV. NO x and volatile organic compound (VOC) emissions plus background O 3 levels are expected to determine NO x oxidation and nitric acid production rates, which currently control the ammonium nitrate levels in the SJV. Secondary organic aerosol formation is significant in winter, especially in the Fresno urban area. Formation of secondary organic aerosol is more likely limited by the rate of VOC oxidation than the availability of VOC precursors in winter.

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Mathematical model for gas-particle partitioning of secondary organic aerosols

Cited by 161 publications

References 22 publications

Temperature dependence of yields of secondary organic aerosols from the ozonolysis of <i>α</i>-pinene and limonene

Temperature dependence of yields of secondary organic aerosols from the ozonolysis of <i>α</i>-pinene and limonene

Secondary organic aerosol formation from the photooxidation of isoprene, 1,3-butadiene, and 2,3-dimethyl-1,3-butadiene under high NO<sub>x</sub> conditions

Processes Influencing Secondary Aerosol Formation in the San Joaquin Valley during Winter

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Mathematical model for gas-particle partitioning of secondary organic aerosols

Cited by 161 publications

References 22 publications

Temperature dependence of yields of secondary organic aerosols from the ozonolysis of &lt;i&gt;α&lt;/i&gt;-pinene and limonene

Temperature dependence of yields of secondary organic aerosols from the ozonolysis of &lt;i&gt;α&lt;/i&gt;-pinene and limonene

Secondary organic aerosol formation from the photooxidation of isoprene, 1,3-butadiene, and 2,3-dimethyl-1,3-butadiene under high NO&lt;sub&gt;x&lt;/sub&gt; conditions

Processes Influencing Secondary Aerosol Formation in the San Joaquin Valley during Winter

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Temperature dependence of yields of secondary organic aerosols from the ozonolysis of <i>α</i>-pinene and limonene

Temperature dependence of yields of secondary organic aerosols from the ozonolysis of <i>α</i>-pinene and limonene

Secondary organic aerosol formation from the photooxidation of isoprene, 1,3-butadiene, and 2,3-dimethyl-1,3-butadiene under high NO<sub>x</sub> conditions