Articles | Volume 24, issue 7
https://doi.org/10.5194/acp-24-4029-2024
https://doi.org/10.5194/acp-24-4029-2024
Research article
 | 
04 Apr 2024
Research article |  | 04 Apr 2024

Reaction of SO3 with H2SO4 and its implications for aerosol particle formation in the gas phase and at the air–water interface

Rui Wang, Yang Cheng, Shasha Chen, Rongrong Li, Yue Hu, Xiaokai Guo, Tianlei Zhang, Fengmin Song, and Hao Li

Related subject area

Subject: Aerosols | Research Activity: Atmospheric Modelling and Data Analysis | Altitude Range: Troposphere | Science Focus: Chemistry (chemical composition and reactions)
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Cited articles

Abedi, M. and Farrokhpour, H.: Acidity constants of some sulfur oxoacids in aqueous solution using CCSD and MP2 methods, Dalton T., 42, 5566–5572, https://doi.org/10.1039/C3DT33056G, 2013. 
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Akhmatskaya, E., Apps, C., Hillier, I., Masters, A., Palmer, I., Watt, N., Vincent, M., and Whitehead, J.: Hydrolysis of SO3 and ClONO2 in water clusters: A combined experimental and theoretical study, J. Am. Chem. Soc., 93, 2775–2779, 1997. 
Anglada, J. M., Hoffman, G. J., Slipchenko, L. V., M. Costa, M., Ruiz-Lopez, M. F., and Francisco, J. S.: Atmospheric significance of water clusters and ozone–water complexes, J. Phys. Chem. A, 117, 10381–10396, 2013. 
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We used quantum chemical calculations, Born–Oppenheimer molecular dynamics simulations, and the ACDC kinetic model to characterize SO3–H2SO4 interaction in the gas phase and at the air–water interface and to study the effect of H2S2O7 on H2SO4–NH3-based clusters. The work expands our understanding of new pathways for the loss of SO3 in acidic polluted areas and helps reveal some missing sources of NPF in metropolitan industrial regions and understand the  atmospheric organic–sulfur cycle better.
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