Abstract
In the last years, two major findings concerning secondary organic aerosol (SOA) were reported. Firstly, the aerosol particles formed by the organic compounds are higher viscous than previously thought. Up to now, SOA formation modeling has mostly based on gas-particle equilibrium partitioning of semi-volatile species. This approach implicates sufficient diffusion of the organic compounds into the particle phase to keep the condensed phase in equilibrium with the gas phase, thus the phase state of the particle phase is important for SOA modeling. Secondly, highly oxidized multifunctional organic compounds (HOMs) are found to influence the early aerosol growth. In order to investigate both aerosol phase state and HOMs in detail in the SPACCIM model framework, a kinetic partitioning approach was implemented in the box model and the gas-phase chemistry mechanism was updated by HOMs. Finally, the insights of the performed box model studies have been utilized to improve SOA modeling within a 3D model and first results are shown in the present study.
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Questioner: Peter Viaene.
Question: Have you considered changes in reaction surface which would affect the kinetics by introducing a \(k_{\text {c}}(r_{\text {p}})\)?
Answer: The reactivity of the surface can be influenced by the partitioning of organic compounds. However, we did not consider changes of \(k_{\text {c}}\) in our simulations. Since, no measurement values of \(k_{\text {c}}\) are available to us, we initially have to estimate this parameter from simulations. We will consider the idea for further investigations.
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Gatzsche, K. et al. (2018). Kinetic Modeling of SOA Formation for \(\alpha \)- and \(\beta \)-Pinene. In: Mensink, C., Kallos, G. (eds) Air Pollution Modeling and its Application XXV. ITM 2016. Springer Proceedings in Complexity. Springer, Cham. https://doi.org/10.1007/978-3-319-57645-9_87
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