Characterization of organic nitrate constituents of secondary organic aerosol (SOA) from nitrate-radical-initiated oxidation of limonene using high-resolution chemical

Creator/Principal investigator(s):

Mattias Hallquist - University of Gothenburg, Department of Chemistry & Molecular Biology

Description:

The gas-phase nitrate radical (NO3*) initiated oxidation of limonene can produce organic nitrate species with varying physical properties. Low-volatility products can contribute to secondary organic aerosol (SOA) formation and organic nitrates may serve as a NOx reservoir, which could be especially important in regions with high biogenic emissions. This work presents the measurement results from flow reactor studies on the reaction of NO3 with limonene using a High-Resolution Time-of-Flight Chemical Ionization Mass Spectrometer (HR-ToF-CIMS) combined with a Filter Inlet for Gases and AEROsols (FIGAERO). Major condensed-phase species were compared to those in the Master Chemical Mechanism (MCM) limonene mechanism, and many non-listed species were identified. The volatility properties of the most prevalent organic nitrates in the produced SOA were determined. Analysis of multiple experiments resulted in the identification of several dominant species (including C10H15NO6, C10H17NO6, C8H11NO6, C10H17NO7, and C9H13NO7 ) that occurred in the SOA under all conditions considered. Additionally, the for

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Creator/Principal investigator(s):

Mattias Hallquist - University of Gothenburg, Department of Chemistry & Molecular Biology

Identifiers:

SND-ID: SND 1047

Purpose:

To explore the chemical composition of low-volatility gas and aerosol-phase species, formed from mixtures of N2O5 and limonene, as measured by a High Resolution Time-of-Flight Chemical Ionization Mass spectrometer (HR-ToF-CIMS) coupled to a Filter Inlet for Gases and AEROsols (FIGAERO) inlet.

The objectives of this work were three-fold namely, to: (i) determine the molecular formula of major nitrate species, produced from the reaction of limonene with NO3, that could contribute significantly to SOA formation and growth, (ii) compare the distribution of measured products to that of the expected products (formed via the Master Chemical Mechanism (MCM)) to identify any discrepancies in the mechanistic understanding of nitrate formation from limonene, and (iii) categorize, via cluster analysis, the thermodynamic desorption data measured for selected condensed-phase species.

Description:

The gas-phase nitrate radical (NO3*) initiated oxidation of limonene can produce organic nitrate species with varying physical properties. Low-volatility products can contribute to secondary organic aerosol (SOA) formation and organic nitrates may serve as a NOx reservoir, which could be especially important in regions with high biogenic emissions. This work presents the measurement results from flow reactor studies on the reaction of NO3 with limonene using a High-Resolution Time-of-Flight Chemical Ionization Mass Spectrometer (HR-ToF-CIMS) combined with a Filter Inlet for Gases and AEROsols (FIGAERO). Major condensed-phase species were compared to those in the Master Chemical Mechanism (MCM) limonene mechanism, and many non-listed species were identified. The volatility properties of the most prevalent organic nitrates in the produced SOA were determined. Analysis of multiple experiments resulted in the identification of several dominant species (including C10H15NO6, C10H17NO6, C8H11NO6, C10H17NO7, and C9H13NO7 ) that occurred in the SOA under all conditions considered. Additionally, the for

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Language:

English

Geographic spread:

Geographic location: Sweden

Funding:

Swedish Research Council —2015-04123

Swedish Research Council —2014-05332

Swedish Research Council —2013-06917

The Swedish Research Council Formas —2015-1537

Version 1.0:

2018-04-04 doi:10.5878/002984

Iodide-HR-ToF-CIMS Data from NO3-initiated Oxidation of Limonene

Citation:

Mattias Hallquist. University of Gothenburg, Department of Chemistry & Molecular Biology (2018). Iodide-HR-ToF-CIMS Data from NO3-initiated Oxidation of Limonene. Swedish National Data Service. Version 1.0. https://doi.org/10.5878/002984

Data format / data structure:

Numeric