open access publication

Article, 2024

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

The Journal of Physical Chemistry A, ISSN 1089-5639, 1520-5215, Volume 128, 5, Pages 918-928, 10.1021/acs.jpca.3c07316

Contributors

Li, Linjie 0000-0003-0508-4947 [1] Thomsen, Ditte 0000-0002-3110-8503 [2] Wu, Cheng [1] Priestley, Michael 0000-0002-6597-6608 [1] Iversen, Emil Mark 0000-0002-6344-3939 [2] Sko̷nager, Jane Tygesen [2] Luo, Yuanyuan 0000-0003-4253-3596 [3] Ehn, Mikael 0000-0002-0215-4893 [3] Roldin, Pontus 0000-0002-4223-4708 [4] [5] Pedersen, Henrik Baymler 0000-0002-7617-8919 [2] Bilde, Merete 0000-0002-2112-514X [2] Glasius, Marianne 0000-0002-4404-6989 [2] Hallquist, Mattias 0000-0001-5691-1231 (Corresponding author) [1]

Affiliations

  1. [1] University of Gothenburg
    2. [NORA names: Sweden; Europe, EU; Nordic; OECD];
  2. [2] Aarhus University
    3. [NORA names: AU Aarhus University; University; Denmark; Europe, EU; Nordic; OECD];
  3. [3] University of Helsinki
    4. [NORA names: Finland; Europe, EU; Nordic; OECD];
  4. [4] IVL Swedish Environmental Institute, Malmö, 21119, Sweden
    5. [NORA names: Sweden; Europe, EU; Nordic; OECD];
  5. [5] Lund University
    6. [NORA names: Sweden; Europe, EU; Nordic; OECD]

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 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.

Keywords

FIGAERO, FIGAERO-ToF-CIMS, RH, SOA, ToF-CIMS, access, aerosol, alkoxy, atmospheric models, authentic standards, chemical ionization mass spectrometer, coefficient, compounds, conditions, dependence, detected species, distribution, dry conditions, effect, effect of increasing temperature, effect of temperature, enthalpy, enthalpy of vaporization, equilibrium, equilibrium partition coefficient, equilibrium partitioning theory, filter, filter inlet, formation, formation of oxidation products, fragments, gas, gas-to-particle, gas-to-particle partitioning, group, humidity, increase, inlet, ionization mass spectrometer, mass spectrometer, method, model, monomer compounds, organic compounds, oxidation products, ozonolysis, partition coefficients, partitioning, partitioning method, partitioning of products, partitioning theory, phase, physical properties, pressure, product distribution, production, properties, relative humidity, saturated vapor pressure, saturation, scission, semivolatile organic compounds, species, spectrometer, standards, substances, temperature, temperature dependence, theory, time-of-flight chemical ionization mass spectrometer, vapor, vapor pressure

Funders

  • Danish Agency for Science and Higher Education
  • Swedish Research Council
  • Academy of Finland
  • Swedish Research Council for Environment Agricultural Sciences and Spatial Planning
  • European Commission

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