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.
Research article
| 
27 Feb 2026
Research article |
| 27 Feb 2026
| 27 Feb 2026
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
Related authors
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In this work, NSA formation from SO3 + HNO3 was studied using quantum chemistry + ACDC. The reaction has a 3.61 kcal·mol-1 barrier and competes with SO3 sinks (HCOOH, C6H5COOH, NH3, H2O). NSA enhances interactions, lowers free energies, stabilizing SA–A clusters. ACDC shows SA–A nucleation up to ~10-3 cm-3 s-1 (278 .15K), ~5 orders above binary. NSA contribution increases with concentration and is stronger than HNO3.
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Benzoic sulfuric anhydride is a potential precursor to atmospheric new particle formation. We used calculations and kinetic modeling to investigate how it forms and influences sulfuric acid-amine particle formation. It forms readily in the gas phase and is a previously unrecognized sulfur-containing species that stabilizes molecular clusters more effectively than benzoic acid. Thus, it promotes particle formation in polluted cities and helps explain why these events occur so frequently.
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This study investigates the formation of hydroxymethyl hydroperoxide (HMHP) through methanesulfonic acid (MSA)-catalyzed hydrolysis of CH2OO in the gas phase and at the air-water interface. HMHP forms rapidly and stably in both environments. Further analysis shows that HMHP enhances the stability of MSA-methylamine (MA) clusters and highlights HMHP's key role in MSA-MA-HMHP nucleation, especially in urban and forested regions.
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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.
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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.
Chengyan Zhang, Guanhua Wang, Xiaokai Guo, Yaogeng Li, Xueping Feng, Yuan Zuo, and Rui Wang
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This preprint is open for discussion and under review for Atmospheric Chemistry and Physics (ACP).
Short summary
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In this work, NSA formation from SO3 + HNO3 was studied using quantum chemistry + ACDC. The reaction has a 3.61 kcal·mol-1 barrier and competes with SO3 sinks (HCOOH, C6H5COOH, NH3, H2O). NSA enhances interactions, lowers free energies, stabilizing SA–A clusters. ACDC shows SA–A nucleation up to ~10-3 cm-3 s-1 (278 .15K), ~5 orders above binary. NSA contribution increases with concentration and is stronger than HNO3.
Xiaokai Guo, Yaogeng Li, Rui Su, Yanlong Yang, Xueping Feng, Guane Wang, Yuan Zuo, Rui Wang, and Tianlei Zhang
EGUsphere, https://doi.org/10.5194/egusphere-2026-2831, https://doi.org/10.5194/egusphere-2026-2831, 2026
This preprint is open for discussion and under review for Atmospheric Chemistry and Physics (ACP).
Short summary
Short summary
Benzoic sulfuric anhydride is a potential precursor to atmospheric new particle formation. We used calculations and kinetic modeling to investigate how it forms and influences sulfuric acid-amine particle formation. It forms readily in the gas phase and is a previously unrecognized sulfur-containing species that stabilizes molecular clusters more effectively than benzoic acid. Thus, it promotes particle formation in polluted cities and helps explain why these events occur so frequently.
Rongrong Li, Zeyao Li, Chengyan Zhang, Rui Wang, Jihuan Yang, Heran Cui, Xuanye Li, Nini Huo, and Tianlei Zhang
Atmos. Chem. Phys., 26, 3867–3880, https://doi.org/10.5194/acp-26-3867-2026, https://doi.org/10.5194/acp-26-3867-2026, 2026
Short summary
Short summary
This study investigates the formation of hydroxymethyl hydroperoxide (HMHP) through methanesulfonic acid (MSA)-catalyzed hydrolysis of CH2OO in the gas phase and at the air-water interface. HMHP forms rapidly and stably in both environments. Further analysis shows that HMHP enhances the stability of MSA-methylamine (MA) clusters and highlights HMHP's key role in MSA-MA-HMHP nucleation, especially in urban and forested regions.
Rui Wang, Rongrong Li, Shasha Chen, Ruxue Mu, Changming Zhang, Xiaohui Ma, Majid Khan, and Tianlei Zhang
Atmos. Chem. Phys., 25, 5695–5709, https://doi.org/10.5194/acp-25-5695-2025, https://doi.org/10.5194/acp-25-5695-2025, 2025
Short summary
Short summary
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.
Hui Wang, Shuqin Wei, Jihuan Yang, Yanlong Yang, Rongrong Li, Rui Wang, Chongqin Zhu, Tianlei Zhang, and Changming Zhang
Atmos. Chem. Phys., 25, 2829–2844, https://doi.org/10.5194/acp-25-2829-2025, https://doi.org/10.5194/acp-25-2829-2025, 2025
Short summary
Short summary
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
Atmos. Chem. Phys., 24, 4029–4046, https://doi.org/10.5194/acp-24-4029-2024, https://doi.org/10.5194/acp-24-4029-2024, 2024
Short summary
Short summary
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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