Articles | Volume 26, issue 4
https://doi.org/10.5194/acp-26-3091-2026
© Author(s) 2026. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Collection:
https://doi.org/10.5194/acp-26-3091-2026
© Author(s) 2026. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Unexpected enhancement of new particle formation by lactic acid sulfate resulting from SO3 loss in forested and agricultural regions
Rui Wang
Shaanxi Key Laboratory of Catalysis, School of Chemical & Environment Science, Shaanxi University of Technology, Hanzhong, Shaanxi 723001, China
Shuqin Wei
Shaanxi Key Laboratory of Catalysis, School of Chemical & Environment Science, Shaanxi University of Technology, Hanzhong, Shaanxi 723001, China
Zeyao Li
Shaanxi Key Laboratory of Catalysis, School of Chemical & Environment Science, Shaanxi University of Technology, Hanzhong, Shaanxi 723001, China
Kaiyu Xue
Shaanxi Key Laboratory of Catalysis, School of Chemical & Environment Science, Shaanxi University of Technology, Hanzhong, Shaanxi 723001, China
Rui Bai
Shaanxi Key Laboratory of Catalysis, School of Chemical & Environment Science, Shaanxi University of Technology, Hanzhong, Shaanxi 723001, China
Tianlei Zhang
CORRESPONDING AUTHOR
Shaanxi Key Laboratory of Catalysis, School of Chemical & Environment Science, Shaanxi University of Technology, Hanzhong, Shaanxi 723001, China
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Gaseous results indicated that SO3 hydrolysis with formic sulfuric anhydride (FSA) has a Gibbs free energy barrier as low as 1.5 kcal mol-1 and can effectively compete with other SO3 hydrolysis. Interfacial BOMD (Born–Oppenheimer molecular dynamics) simulations illustrated that FSA-mediated SO3 hydrolysis at the gas–liquid interface occurs through a stepwise mechanism and can be completed within a few picoseconds. ACDC (Atmospheric Clusters Dynamics Code) kinetic simulations indicated that FSA significantly enhances cluster formation rates in the H2SO4–NH3 system.
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In the gaseous reaction, the activation energy for the hydrolysis of HNSO2 catalyzed by MSA was only 0.8 kcal mol−1. Atmospheric Cluster Dynamic Code kinetic simulations disclosed that sulfamic acid markedly enhances the assembly of a methanesulfonic acid–methylamine-based cluster. At the air–water interface, the NH2SO3− and H3O+ ion formation mechanism and the proton exchange mechanism were observed.
Rui Wang, Yang Cheng, Shasha Chen, Rongrong Li, Yue Hu, Xiaokai Guo, Tianlei Zhang, Fengmin Song, and Hao Li
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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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Short summary
This study investigates the atmospheric formation of lactic acid sulfate and its role in new particle formation, with implications for air quality and climate. The results show that lactic acid sulfate enhances particle cluster stability and promotes new particle formation, particularly in forested and agricultural regions. These findings highlight the important role of organic compounds like lactic acid sulfate in particle formation, offering insights for mitigating haze and health risks.
This study investigates the atmospheric formation of lactic acid sulfate and its role in new...
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