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Gas-to-Particle Partitioning of Products from Ozonolysis of Δ3-Carene and the Effect of Temperature and Relative Humidity

Li, Linjie ; Thomsen, Ditte ; Wu, Cheng ; Priestley, Michael ; Iversen, Emil Mark ; Tygesen Sko̷nager, Jane ; Luo, Yuanyuan ; Ehn, Mikael ; Roldin, Pontus LU and Pedersen, Henrik B. , et al. (2024) In Journal of Physical Chemistry A 128(5). p.918-928
Abstract

Formation of oxidized products from Δ3-carene (C10H16) ozonolysis and their gas-to-particle partitioning at three temperatures (0, 10, and 20 °C) under dry conditions (<2% RH) and also at 10 °C under humid (78% RH) conditions were studied using a time-of-flight chemical ionization mass spectrometer (ToF-CIMS) combined with a filter inlet for gases and aerosols (FIGAERO). The Δ3-carene ozonolysis products detected by the FIGAERO-ToF-CIMS were dominated by semivolatile organic compounds (SVOCs). The main effect of increasing temperature or RH on the product distribution was an increase in fragmentation of monomer compounds (from C10 to C7 compounds), potentially via... (More)

Formation of oxidized products from Δ3-carene (C10H16) ozonolysis and their gas-to-particle partitioning at three temperatures (0, 10, and 20 °C) under dry conditions (<2% RH) and also at 10 °C under humid (78% RH) conditions were studied using a time-of-flight chemical ionization mass spectrometer (ToF-CIMS) combined with a filter inlet for gases and aerosols (FIGAERO). The Δ3-carene ozonolysis products detected by the FIGAERO-ToF-CIMS were dominated by semivolatile organic compounds (SVOCs). The main effect of increasing temperature or RH on the product distribution was an increase in fragmentation of monomer compounds (from C10 to C7 compounds), potentially via alkoxy scission losing a C3 group. The equilibrium partitioning coefficient estimated according to equilibrium partitioning theory shows that the measured SVOC products distribute more into the SOA phase as the temperature decreases from 20 to 10 and 0 °C and for most products as the RH increases from <2 to 78%. The temperature dependency of the saturation vapor pressure (above an assumed liquid state), derived from the partitioning method, also allows for a direct way to obtain enthalpy of vaporization for the detected species without accessibility of authentic standards of the pure substances. This method can provide physical properties, beneficial for, e.g., atmospheric modeling, of complex multifunctional oxidation products.

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organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Journal of Physical Chemistry A
volume
128
issue
5
pages
11 pages
publisher
The American Chemical Society (ACS)
external identifiers
  • pmid:38293769
  • scopus:85184664572
ISSN
1089-5639
DOI
10.1021/acs.jpca.3c07316
language
English
LU publication?
yes
id
41d313d5-6809-4e36-bfe4-a0a6e496779a
date added to LUP
2024-02-26 13:50:22
date last changed
2024-04-25 21:59:13
@article{41d313d5-6809-4e36-bfe4-a0a6e496779a,
  abstract     = {{<p>Formation of oxidized products from Δ<sup>3</sup>-carene (C<sub>10</sub>H<sub>16</sub>) ozonolysis and their gas-to-particle partitioning at three temperatures (0, 10, and 20 °C) under dry conditions (&lt;2% RH) and also at 10 °C under humid (78% RH) conditions were studied using a time-of-flight chemical ionization mass spectrometer (ToF-CIMS) combined with a filter inlet for gases and aerosols (FIGAERO). The Δ<sup>3</sup>-carene ozonolysis products detected by the FIGAERO-ToF-CIMS were dominated by semivolatile organic compounds (SVOCs). The main effect of increasing temperature or RH on the product distribution was an increase in fragmentation of monomer compounds (from C<sub>10</sub> to C<sub>7</sub> compounds), potentially via alkoxy scission losing a C<sub>3</sub> group. The equilibrium partitioning coefficient estimated according to equilibrium partitioning theory shows that the measured SVOC products distribute more into the SOA phase as the temperature decreases from 20 to 10 and 0 °C and for most products as the RH increases from &lt;2 to 78%. The temperature dependency of the saturation vapor pressure (above an assumed liquid state), derived from the partitioning method, also allows for a direct way to obtain enthalpy of vaporization for the detected species without accessibility of authentic standards of the pure substances. This method can provide physical properties, beneficial for, e.g., atmospheric modeling, of complex multifunctional oxidation products.</p>}},
  author       = {{Li, Linjie and Thomsen, Ditte and Wu, Cheng and Priestley, Michael and Iversen, Emil Mark and Tygesen Sko̷nager, Jane and Luo, Yuanyuan and Ehn, Mikael and Roldin, Pontus and Pedersen, Henrik B. and Bilde, Merete and Glasius, Marianne and Hallquist, Mattias}},
  issn         = {{1089-5639}},
  language     = {{eng}},
  number       = {{5}},
  pages        = {{918--928}},
  publisher    = {{The American Chemical Society (ACS)}},
  series       = {{Journal of Physical Chemistry A}},
  title        = {{Gas-to-Particle Partitioning of Products from Ozonolysis of Δ<sup>3</sup>-Carene and the Effect of Temperature and Relative Humidity}},
  url          = {{http://dx.doi.org/10.1021/acs.jpca.3c07316}},
  doi          = {{10.1021/acs.jpca.3c07316}},
  volume       = {{128}},
  year         = {{2024}},
}