Chemical Composition of Secondary Organic Aerosol Formed from the Photooxidation of Isoprene

2006 ◽  
Vol 110 (31) ◽  
pp. 9665-9690 ◽  
Author(s):  
Jason D. Surratt ◽  
Shane M. Murphy ◽  
Jesse H. Kroll ◽  
Nga L. Ng ◽  
Lea Hildebrandt ◽  
...  
Keyword(s):  
Chemical Composition ◽  
Secondary Organic Aerosol ◽  
Organic Aerosol

scholarly journals Impact of molecular structure on secondary organic aerosol formation from aromatic hydrocarbon photooxidation under low NO<sub><i>x</i></sub> conditions

2016 ◽  
Author(s):  
L. Li ◽  
P. Tang ◽  
S. Nakao ◽  
D. R. Cocker III
Keyword(s):  
Molecular Structure ◽  
Chemical Composition ◽  
Aromatic Hydrocarbon ◽  
Chain Length ◽  
Aromatic Hydrocarbons ◽  
Secondary Organic Aerosol ◽  
Organic Aerosol ◽  
Ortho Position ◽  
Aerosol Formation ◽  
The Impact

Abstract. The molecular structure of volatile organic compounds (VOC) determines their oxidation pathway, directly impacting secondary organic aerosol (SOA) formation. This study comprehensively investigates the impact of molecular structure on SOA formation from the photooxidation of twelve different eight to nine carbon aromatic hydrocarbons under low NOx conditions. The effects of the alkyl substitute number, location, carbon chain length and branching structure on the photooxidation of aromatic hydrocarbons are demonstrated by analyzing SOA yield, chemical composition and physical properties. Aromatic hydrocarbons, categorized into five groups, show a yield order of ortho (o-xylene and o-ethyltoluene) > one substitute (ethylbenzene, propylbenzene and isopropylbenzene) > meta (m-xylene and m-ethyltoluene) > three substitute (trimethylbenzenes) > para (p-xylene and p-ethyltoluene). SOA yields of aromatic hydrocarbon photooxidation do not monotonically decrease when increasing alkyl substitute number. The ortho position promotes SOA formation while the para position suppresses aromatic oxidation and SOA formation. Observed SOA chemical composition and volatility confirm that higher yield is associated with further oxidation. SOA chemical composition also suggests that aromatic oxidation increases with increasing alkyl substitute chain length and branching structure. Further, carbon dilution theory developed by Li et al. (2015a) is extended in this study to serve as a standard method to determine the extent of oxidation of an alkyl substituted aromatic hydrocarbon.

scholarly journals Temperature and volatile organic compound concentrations as controlling factors for chemical composition of <i>α</i>-pinene-derived secondary organic aerosol

2021 ◽  
Vol 21 (15) ◽  
pp. 11545-11562
Author(s):  
Louise N. Jensen ◽  
Manjula R. Canagaratna ◽  
Kasper Kristensen ◽  
Lauriane L. J. Quéléver ◽  
Bernadette Rosati ◽  
...  
Keyword(s):  
Chemical Composition ◽  
Organic Compound ◽  
Organic Acids ◽  
Organic Acid ◽  
Elemental Composition ◽  
Volatile Organic Compound ◽  
Secondary Organic Aerosol ◽  
Organic Aerosol ◽  
Oxidation Level ◽  
Volatile Organic

Abstract. This work investigates the individual and combined effects of temperature and volatile organic compound precursor concentrations on the chemical composition of particles formed in the dark ozonolysis of α-pinene. All experiments were conducted in a 5 m3 Teflon chamber at an initial ozone concentration of 100 ppb and initial α-pinene concentrations of 10 and 50 ppb, respectively; at constant temperatures of 20, 0, or −15 ∘C; and at changing temperatures (ramps) from −15 to 20 and from 20 to −15 ∘C. The chemical composition of the particles was probed using a high-resolution time-of-flight aerosol mass spectrometer (HR-ToF-AMS). A four-factor solution of a positive matrix factorization (PMF) analysis of the combined HR-ToF-AMS data is presented. The PMF analysis and the elemental composition analysis of individual experiments show that secondary organic aerosol particles with the highest oxidation level are formed from the lowest initial α-pinene concentration (10 ppb) and at the highest temperature (20 ∘C). A higher initial α-pinene concentration (50 ppb) and/or lower temperature (0 or −15 ∘C) results in a lower oxidation level of the molecules contained in the particles. With respect to the carbon oxidation state, particles formed at 0 ∘C are more comparable to particles formed at −15 ∘C than to those formed at 20 ∘C. A remarkable observation is that changes in temperature during particle formation result in only minor changes in the elemental composition of the particles. Thus, the temperature at which aerosol particle formation is induced seems to be a critical parameter for the particle elemental composition. Comparison of the HR-ToF-AMS-derived estimates of the content of organic acids in the particles based on m/z 44 in the mass spectra show good agreement with results from off-line molecular analysis of particle filter samples collected from the same experiments. Higher temperatures are associated with a decrease in the absolute mass concentrations of organic acids (R-COOH) and organic acid functionalities (-COOH), while the organic acid functionalities account for an increasing fraction of the measured particle mass.

Optical Properties of Secondary Organic Aerosol from cis-3-Hexenol and cis-3-Hexenyl Acetate: Effect of Chemical Composition, Humidity, and Phase

2016 ◽  
Vol 50 (10) ◽  
pp. 4997-5006 ◽  
Author(s):  
Rebecca M. Harvey ◽  
Adam P. Bateman ◽  
Shashank Jain ◽  
Yong Jie Li ◽  
Scot Martin ◽  
...  
Keyword(s):  
Optical Properties ◽  
Chemical Composition ◽  
Secondary Organic Aerosol ◽  
Organic Aerosol ◽  
Hexenyl Acetate

scholarly journals Secondary Organic Aerosol from Atmospheric Photooxidation of Indole

2017 ◽  
Author(s):  
Julia Montoya ◽  
Jeremy R. Horne ◽  
Mallory L. Hinks ◽  
Lauren T. Fleming ◽  
Veronique Perraud ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Air Quality ◽  
Chemical Composition ◽  
High Resolution ◽  
Secondary Organic Aerosol ◽  
High Resolution Mass Spectrometry ◽  
Organic Aerosol ◽  
Scanning Mobility Particle Sizer ◽  
High Resolution Mass ◽  
Resolution Mass

Abstract. Indole is a heterocyclic compound emitted by various plant species under stressed conditions or during flowering events. The formation, optical properties, and chemical composition of secondary organic aerosol (SOA) formed by low-NOx photooxidation of indole were investigated. The SOA yield (1.1 ± 0.3) was estimated from measuring the particle mass concentration with a scanning mobility particle sizer (SMPS) and correcting it for the wall loss effects. The SOA particles were collected on filters and analysed offline with UV-Vis spectrophotometry to measure the mass absorption coefficient (MAC) of the bulk sample. The samples were visibly brown and had MAC values of ~7 m2/g at λ = 300 nm and ~2 m2/g at λ = 400 nm, comparable to strongly absorbing brown carbon emitted from biomass burning. The chemical composition of SOA was examined with several mass spectrometry methods. The direct analysis in real time mass spectrometry (DART-MS) and nanospray desorption electrospray high resolution mass spectrometry (nano-DESI-HRMS) were used to provide information about the overall distribution of SOA compounds. High performance liquid chromatography, coupled to photodiode array spectrophotometry and high resolution mass spectrometry (HPLC-PDA-HRMS) was used to identify chromophoric compounds. Indole derivatives, such as tryptanthrin, indirubin, indigo dye, and indoxyl red were found to contribute significantly to the visible absorption spectrum of indole SOA. The potential effect of indole SOA on air quality was explored with the airshed model, which found elevated concentrations of indole SOA during the afternoon hours contributing considerably to the total organic aerosol under selected scenarios. Because of its high MAC values, indole SOA can contribute to decreased visibility and poor air quality.

scholarly journals Effect of oxidant concentration, exposure time, and seed particles on secondary organic aerosol chemical composition and yield

2015 ◽  
Vol 15 (6) ◽  
pp. 3063-3075 ◽  
Author(s):  
A. T. Lambe ◽  
P. S. Chhabra ◽  
T. B. Onasch ◽  
W. H. Brune ◽  
J. F. Hunter ◽  
...  
Keyword(s):  
Chemical Composition ◽  
Gas Phase ◽  
Flow Reactor ◽  
Secondary Organic Aerosol ◽  
Organic Aerosol ◽  
Short Exposure ◽  
Heterogeneous Oxidation ◽  
Seed Particles ◽  
Aerosol Mass ◽  
Environmental Chambers

Abstract. We performed a systematic intercomparison study of the chemistry and yields of secondary organic aerosol (SOA) generated from OH oxidation of a common set of gas-phase precursors in a Potential Aerosol Mass (PAM) continuous flow reactor and several environmental chambers. In the flow reactor, SOA precursors were oxidized using OH concentrations ranging from 2.0 × 108 to 2.2 × 1010 molec cm−3 over exposure times of 100 s. In the environmental chambers, precursors were oxidized using OH concentrations ranging from 2 × 106 to 2 × 107 molec cm−3 over exposure times of several hours. The OH concentration in the chamber experiments is close to that found in the atmosphere, but the integrated OH exposure in the flow reactor can simulate atmospheric exposure times of multiple days compared to chamber exposure times of only a day or so. In most cases, for a specific SOA type the most-oxidized chamber SOA and the least-oxidized flow reactor SOA have similar mass spectra, oxygen-to-carbon and hydrogen-to-carbon ratios, and carbon oxidation states at integrated OH exposures between approximately 1 × 1011 and 2 × 1011 molec cm−3 s, or about 1–2 days of equivalent atmospheric oxidation. This observation suggests that in the range of available OH exposure overlap for the flow reactor and chambers, SOA elemental composition as measured by an aerosol mass spectrometer is similar whether the precursor is exposed to low OH concentrations over long exposure times or high OH concentrations over short exposure times. This similarity in turn suggests that both in the flow reactor and in chambers, SOA chemical composition at low OH exposure is governed primarily by gas-phase OH oxidation of the precursors rather than heterogeneous oxidation of the condensed particles. In general, SOA yields measured in the flow reactor are lower than measured in chambers for the range of equivalent OH exposures that can be measured in both the flow reactor and chambers. The influence of sulfate seed particles on isoprene SOA yield measurements was examined in the flow reactor. The studies show that seed particles increase the yield of SOA produced in flow reactors by a factor of 3 to 5 and may also account in part for higher SOA yields obtained in the chambers, where seed particles are routinely used.

scholarly journals Temperature and VOC concentration as controlling factors for chemical composition of alpha-pinene derived secondary organic aerosol

2020 ◽  
Author(s):  
Louise N. Jensen ◽  
Manjula R. Canagaratna ◽  
Kasper Kristensen ◽  
Lauriane L. J. Quéléver ◽  
Bernadette Rosati ◽  
...  
Keyword(s):  
Chemical Composition ◽  
Organic Acids ◽  
Organic Acid ◽  
Elemental Composition ◽  
Secondary Organic Aerosol ◽  
Organic Aerosol ◽  
Particle Formation ◽  
Composition Analysis ◽  
Oxidation Level ◽  
The Individual

Abstract. This work investigates the individual and combined effects of temperature and volatile organic compound precursor concentration on the chemical composition of particles formed in the dark ozonolysis of α-pinene. All experiments were conducted in a 5 m3 Teflon chamber at an initial ozone concentration of 100 ppb and α-pinene concentrations of 10 ppb and 50 ppb, respectively, at constant temperatures of 20 °C, 0 °C, or −15 °C, and at changing temperatures (ramps) from −15 °C to 20 °C and from 20 °C to −15 °C. The chemical composition of the particles was probed using a High-Resolution Time-of-Flight Aerosol Mass Spectrometer (HR-ToF-AMS). A four-factor solution of a Positive Matrix Factorization (PMF) analysis of combined HR-ToF-AMS data from experiments conducted under different conditions is presented. The PMF analysis as well as elemental composition analysis of individual experiments show that secondary organic aerosol particles with the highest oxidation level are formed from the lowest initial α-pinene concentration (10 ppb) and at the highest temperature (20 °C). Higher initial α-pinene concentration (50 ppb) and/or lower temperature (0 °C or −15 °C) result in lower oxidation level of the molecules contained in the particles. With respect to carbon oxidation state, particles formed at 0 °C are more comparable to particles formed at −15 °C than to those formed at 20 °C. A remarkable observation is that changes in temperature during or after particle formation result in only minor changes in the elemental composition of the particles. The temperature at which aerosol particle formation is initiated thus seems to be a critical parameter for the particle elemental composition. Comparison of the AMS derived estimates of the content of organic acids in the particles based on m/z 44 in the spectra show good agreement with results from off-line molecular analysis of particle filter samples collected from the same experiments. While higher temperatures are associated with a decrease in the absolute mass concentrations of organic acids (R-COOH) and organic acid functionalities (-COOH), the organic acid functionalities account for an increasing fraction of the measured SOA mass at higher temperatures.

scholarly journals Influence of aerosol acidity on the chemical composition of Secondary Organic Aerosol from β-caryophyllene

2010 ◽  
Vol 10 (11) ◽  
pp. 29249-29289 ◽  
Author(s):  
M. N. Chan ◽  
J. D. Surratt ◽  
A. W. H. Chan ◽  
K. Schilling ◽  
J. H. Offenberg ◽  
...  
Keyword(s):  
Chemical Composition ◽  
Secondary Organic Aerosol ◽  
Phase Particle ◽  
Organic Aerosol ◽  
Chromatographic Retention ◽  
Phase Reaction ◽  
Particle Phase ◽  
Reaction Products ◽  
Aerosol Acidity ◽  
Field Samples

Abstract. The secondary organic aerosol (SOA) yield of β-caryophyllene photooxidation is enhanced by aerosol acidity. In the present study, the influence of aerosol acidity on the chemical composition of β-caryophyllene SOA is investigated using ultra performance liquid chromatography/electrospray ionization-time-of-flight mass spectrometry (UPLC/ESI-TOFMS). A number of first-, second- and higher-generation gas-phase products having carbonyl and carboxylic acid functional groups are detected in the particle phase. Particle-phase reaction products formed via hydration and organosulfate formation processes are also detected. Increase of acidity leads to different effects on the abundance of individual products; significantly, abundances of organosulfates are correlated with aerosol acidity. To our knowledge, this is the first detection of organosulfates and nitrated organosulfates derived from a sesquiterpene. The increase of certain particle-phase reaction products with increased acidity provides chemical evidence to support the acid-enhanced SOA yields. Based on the agreement between the chromatographic retention times and accurate mass measurements of chamber and field samples, three β-caryophyllene products (i.e., β-nocaryophyllon aldehyde, β-hydroxynocaryophyllon aldehyde, and β-dihydroxynocaryophyllon aldehyde) are identified as chemical tracers for β-caryophyllene SOA. These compounds are detected in both day and night ambient samples collected in downtown Atlanta, GA and rural Yorkville, GA during the 2008 August Mini-Intensive Gas and Aerosol Study (AMIGAS).

Chemical Composition and Reaction Mechanisms for Secondary Organic Aerosol from Photooxidation of Ethylbenzene

2006 ◽  
Vol 22 (05) ◽  
pp. 596-601
Author(s):  
HUANG Ming-Qiang ◽  
◽  
◽  
HAO Li-Qing ◽  
ZHOU Liu-Zhou ◽  
...  
Keyword(s):  
Chemical Composition ◽  
Reaction Mechanisms ◽  
Secondary Organic Aerosol ◽  
Organic Aerosol

Size distribution and chemical composition of secondary organic aerosol formed from Cl-initiated oxidation of toluene

2012 ◽  
Vol 24 (5) ◽  
pp. 860-864 ◽  
Author(s):  
Mingqiang Huang ◽  
Weijun Zhang ◽  
Xuejun Gu ◽  
Changjin Hu ◽  
Weixiong Zhao ◽  
...  
Keyword(s):  
Chemical Composition ◽  
Size Distribution ◽  
Secondary Organic Aerosol ◽  
Organic Aerosol
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