Articles | Volume 21, issue 8
https://doi.org/10.5194/acp-21-6175-2021
https://doi.org/10.5194/acp-21-6175-2021
Research article
 | 
23 Apr 2021
Research article |  | 23 Apr 2021

Non-equilibrium interplay between gas–particle partitioning and multiphase chemical reactions of semi-volatile compounds: mechanistic insights and practical implications for atmospheric modeling of polycyclic aromatic hydrocarbons

Jake Wilson, Ulrich Pöschl, Manabu Shiraiwa, and Thomas Berkemeier

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Cited articles

Akyüz, M. and Çabuk, H.: Gas–particle partitioning and seasonal variation of polycyclic aromatic hydrocarbons in the atmosphere of Zonguldak, Turkey, Sci. Total Environ., 408, 5550–5558, https://doi.org/10.1016/j.scitotenv.2010.07.063, 2010. a
Arp, H. P. H., Schwarzenbach, R. P., and Goss, K.-U.: Ambient gas/particle partitioning. 2: The influence of particle source and temperature on sorption to dry terrestrial aerosols, Environ. Sci. Technol., 42, 5951–5957, https://doi.org/10.1021/es703096p, 2008. a
Berkemeier, T., Takeuchi, M., Eris, G., and Ng, N. L.: Kinetic modeling of formation and evaporation of secondary organic aerosol from NO3 oxidation of pure and mixed monoterpenes, Atmos. Chem. Phys., 20, 15513–15535, https://doi.org/10.5194/acp-20-15513-2020, 2020. a
Bernasconi, C. F.: Relaxation Kinetics, Chapter 1 – Basic Principles, Academic Press, New York, https://doi.org/10.1016/B978-0-12-092950-4.50005-8, 1976. a
Bertram, A. K., Ivanov, A. V., Hunter, M., Molina, L. T., and Molina, M. J.: The reaction probability of OH on organic surfaces of tropospheric interest, J. Phys. Chem. A, 105, 9415–9421, https://doi.org/10.1021/jp0114034, 2001. a
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This work explores the gas–particle partitioning of PAHs on soot with a kinetic model. We show that the equilibration timescale depends on PAH molecular structure, temperature, and particle number concentration. We explore scenarios in which the particulate fraction is perturbed from equilibrium by chemical loss and discuss implications for chemical transport models that assume instantaneous equilibration at each model time step.
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