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

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

doi:10.5194/acp-25-12615-2025

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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Apr 2025	146	14	10	170
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Jul 2025	112	62	14	188
Aug 2025	276	16	0	292
Sep 2025	1,294	18	4	1,316
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Nov 2025	163	97	10	270
Dec 2025	158	117	11	286
Jan 2026	186	142	18	346
Feb 2026	146	178	15	339
Mar 2026	133	192	13	338
Apr 2026	139	69	10	218
May 2026	85	48	7	140
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Jul 2026	61	37	21	119
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Cumulative views and downloads (calculated since 25 Apr 2025)

Month	HTML	PDF	XML	Total
Apr 2025	146	14	10	170
May 2025	222	46	10	278
Jun 2025	128	34	14	176
Jul 2025	112	62	14	188
Aug 2025	276	16	0	292
Sep 2025	1,294	18	4	1,316
Oct 2025	319	77	7	403
Nov 2025	163	97	10	270
Dec 2025	158	117	11	286
Jan 2026	186	142	18	346
Feb 2026	146	178	15	339
Mar 2026	133	192	13	338
Apr 2026	139	69	10	218
May 2026	85	48	7	140
Jun 2026	18	9	6	33
Jul 2026	61	37	21	119
Aug 2026	1	2	0	3

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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.