Atmospheric Chemistry and Physics
Atmospheric Chemistry and Physics
ACP
Articles | Volume 25, issue 19
Articles | Volume 25, issue 19
https://doi.org/10.5194/acp-25-12615-2025
© Author(s) 2025. This work is distributed under
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/acp-25-12615-2025
© Author(s) 2025. This work is distributed under
the Creative Commons Attribution 4.0 License.
Articles | Volume 25, issue 19
Research article
 | 
10 Oct 2025
Research article |  | 10 Oct 2025

Acid-catalyzed hydrolysis kinetics of organic hydroperoxides: computational strategy and structure–activity relationship

Qiaojing Zhao, Fangfang Ma, Hui Zhao, Qian Xu, Rujing Yin, Hong-Bin Xie, Xin Wang, and Jingwen Chen

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Short summary
The scarcity of kinetic data for key aerosol aqueous-phase reactions contributes to large uncertainties in atmospheric models. We establish a computational strategy to rapidly predict acid-catalyzed hydrolysis kinetics of organic hydroperoxides, an aerosol constituent with high abundance. The kinetic parameters can be integrated into atmospheric models to improve simulations of the global hydrogen peroxide budget and secondary organic aerosol production.
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