Articles | Volume 26, issue 6
https://doi.org/10.5194/acp-26-4423-2026
© Author(s) 2026. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/acp-26-4423-2026
© Author(s) 2026. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Mechanistic insights into marine boundary layer nucleation: synergistic interactions of typical sulfur, iodine, and nitrogen precursors
Jing Li
State Key Laboratory of Environment Characteristics and Effects for Near-space, Key Laboratory of Cluster Science, Ministry of Education of China, School of Chemistry and Chemical Engineering, Beijing Institute of Technology, Beijing, 100081, China
State Key Laboratory of Environment Characteristics and Effects for Near-space, Key Laboratory of Cluster Science, Ministry of Education of China, School of Chemistry and Chemical Engineering, Beijing Institute of Technology, Beijing, 100081, China
State Key Laboratory of Environment Characteristics and Effects for Near-space, Key Laboratory of Cluster Science, Ministry of Education of China, School of Chemistry and Chemical Engineering, Beijing Institute of Technology, Beijing, 100081, China
Xiucong Deng
State Key Laboratory of Environment Characteristics and Effects for Near-space, Key Laboratory of Cluster Science, Ministry of Education of China, School of Chemistry and Chemical Engineering, Beijing Institute of Technology, Beijing, 100081, China
State Key Laboratory of Environment Characteristics and Effects for Near-space, Key Laboratory of Cluster Science, Ministry of Education of China, School of Chemistry and Chemical Engineering, Beijing Institute of Technology, Beijing, 100081, China
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Yang Liu, An Ning, Xiaohua Yang, Yuchen Zhang, Ling Liu, and Xiuhui Zhang
EGUsphere, https://doi.org/10.5194/egusphere-2026-388, https://doi.org/10.5194/egusphere-2026-388, 2026
This preprint is open for discussion and under review for Atmospheric Chemistry and Physics (ACP).
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Current atmospheric models fail to explain observed sulfate concentrations in polluted and cold regions. Using molecular simulations, we show that hydroxymethanesulfonate and its isomer hydroxymethyl sulfite form mainly through reactions at air–water and air–ice surfaces rather than in bulk liquid water. Strong acidity in polluted aerosols shifts formation toward hydroxymethyl sulfite. These findings help explain long-standing gaps between modeled and observed atmospheric sulfate.
Xiucong Deng, An Ning, Ling Liu, Fengyang Bai, Jie Yang, Jing Li, Jiarong Liu, and Xiuhui Zhang
Atmos. Chem. Phys., 26, 477–488, https://doi.org/10.5194/acp-26-477-2026, https://doi.org/10.5194/acp-26-477-2026, 2026
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I2O5 is known as a significant contributor to marine aerosol, yet the chemical mechanism remains unclear. The atmospheric complexity arises from intricate coupling effects between I2O5 and diverse chemical species. We performed Born-Oppenheimer molecular dynamics to elucidate the I2O5 hydrolysis mechanisms mediated by prevalent chemicals at the air-water interface. The proposed heterogeneous reactions provides molecular-level insight into the role of I2O5 in the atmospheric iodine chemistry.
Jiaqi Jin, Runlong Cai, Yiliang Liu, Gan Yang, Yueyang Li, Chuang Li, Lei Yao, Jingkun Jiang, Xiuhui Zhang, and Lin Wang
Atmos. Chem. Phys., 25, 17125–17138, https://doi.org/10.5194/acp-25-17125-2025, https://doi.org/10.5194/acp-25-17125-2025, 2025
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Based on observed atmospheric new particle formation events at multiple sites in eastern China, we find that sulfuric acid and dimethylamine can explain the observed atmospheric nucleation and the differences in the nucleation intensity among campaigns can be largely attributed to temperature and precursor concentrations. Our results also show that oxygenated organic molecules can make a great contribution to the initial growth of freshly nucleated particles in the real atmosphere.
Jing Li, An Ning, Ling Liu, Fengyang Bai, Qishen Huang, Pai Liu, Xiucong Deng, Yunhong Zhang, and Xiuhui Zhang
Atmos. Chem. Phys., 25, 14237–14249, https://doi.org/10.5194/acp-25-14237-2025, https://doi.org/10.5194/acp-25-14237-2025, 2025
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Iodic acid (IA) particles are frequently observed in the upper troposphere and lower stratosphere (UTLS), yet their formation mechanism remains unclear. Nitric acid (NA) and ammonia (NH3) are key nucleation precursors in the UTLS. This study investigates the IA–NA–NH3 system using a theoretical approach. Our proposed nucleation mechanism highlights the crucial role of NA in IA nucleation, providing molecular-level evidence for the missing sources of IA particles in the UTLS.
Jiewen Shen, Bin Zhao, Shuxiao Wang, An Ning, Yuyang Li, Runlong Cai, Da Gao, Biwu Chu, Yang Gao, Manish Shrivastava, Jingkun Jiang, Xiuhui Zhang, and Hong He
Atmos. Chem. Phys., 24, 10261–10278, https://doi.org/10.5194/acp-24-10261-2024, https://doi.org/10.5194/acp-24-10261-2024, 2024
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We extensively compare various cluster-dynamics-based parameterizations for sulfuric acid–dimethylamine nucleation and identify a newly developed parameterization derived from Atmospheric Cluster Dynamic Code (ACDC) simulations as being the most reliable one. This study offers a valuable reference for developing parameterizations of other nucleation systems and is meaningful for the accurate quantification of the environmental and climate impacts of new particle formation.
Haotian Zu, Biwu Chu, Yiqun Lu, Ling Liu, and Xiuhui Zhang
Atmos. Chem. Phys., 24, 5823–5835, https://doi.org/10.5194/acp-24-5823-2024, https://doi.org/10.5194/acp-24-5823-2024, 2024
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The nucleation of iodic acid (HIO3) and iodous acid (HIO2) was proven to be critical in marine areas. However, HIO3–HIO2 nucleation cannot effectively derive the rapid nucleation in some polluted coasts. We find a significant enhancement of dimethylamine (DMA) on the HIO3–HIO2 nucleation in marine and polar regions with abundant DMA sources, which may establish reasonable connections between the HIO3–HIO2 nucleation and the rapid formation of new particles in polluted marine and polar regions.
Jing Li, Nan Wu, Biwu Chu, An Ning, and Xiuhui Zhang
Atmos. Chem. Phys., 24, 3989–4000, https://doi.org/10.5194/acp-24-3989-2024, https://doi.org/10.5194/acp-24-3989-2024, 2024
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Iodic acid (HIO3) nucleates with iodous acid (HIO2) efficiently in marine areas; however, whether methanesulfonic acid (MSA) can synergistically participate in the HIO3–HIO2-based nucleation is unclear. We provide molecular-level evidence that MSA can efficiently promote the formation of HIO3–HIO2-based clusters using a theoretical approach. The proposed MSA-enhanced iodine nucleation mechanism may help us to deeply understand marine new particle formation events with bursts of iodine particles.
Yangyang Liu, Yue Deng, Jiarong Liu, Xiaozhong Fang, Tao Wang, Kejian Li, Kedong Gong, Aziz U. Bacha, Iqra Nabi, Qiuyue Ge, Xiuhui Zhang, Christian George, and Liwu Zhang
Atmos. Chem. Phys., 22, 9175–9197, https://doi.org/10.5194/acp-22-9175-2022, https://doi.org/10.5194/acp-22-9175-2022, 2022
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Both CO2 and carbonate salt work as the precursor of carbonate radicals, which largely promotes sulfate formation during the daytime. This study provides the first indication that the carbonate radical not only plays a role as an intermediate in tropospheric anion chemistry but also as a strong oxidant for the surface processing of trace gas in the atmosphere. CO2, carbponate radicals, and sulfate receive attention from those looking at the environment, atmosphere, aerosol, and photochemistry.
An Ning, Ling Liu, Lin Ji, and Xiuhui Zhang
Atmos. Chem. Phys., 22, 6103–6114, https://doi.org/10.5194/acp-22-6103-2022, https://doi.org/10.5194/acp-22-6103-2022, 2022
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Iodic acid (IA) and methanesulfonic acid (MSA) were previously proved to be significant nucleation precursors in marine areas. However, the nucleation process involved in IA and MSA remains unclear. We show the enhancement of MSA on IA cluster formation and reveal the IAM-SA nucleating mechanism using a theoretical approach. This study helps to understand the clustering process in which marine sulfur- and iodine-containing species are jointly involved and its impact on new particle formation.
Narcisse Tsona Tchinda, Lin Du, Ling Liu, and Xiuhui Zhang
Atmos. Chem. Phys., 22, 1951–1963, https://doi.org/10.5194/acp-22-1951-2022, https://doi.org/10.5194/acp-22-1951-2022, 2022
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This study explores the effect of pyruvic acid (PA) both in the SO3 hydrolysis and in sulfuric-acid-based aerosol formation. Results show that in dry and polluted areas, PA-catalyzed SO3 hydrolysis is about 2 orders of magnitude more efficient at forming sulfuric acid than the water-catalyzed reaction. Moreover, PA can effectively enhance the ternary SA-PA-NH3 particle formation rate by up to 4.7×102 relative to the binary SA-NH3 particle formation rate at cold temperatures.
Ling Liu, Fangqun Yu, Kaipeng Tu, Zhi Yang, and Xiuhui Zhang
Atmos. Chem. Phys., 21, 6221–6230, https://doi.org/10.5194/acp-21-6221-2021, https://doi.org/10.5194/acp-21-6221-2021, 2021
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Trifluoroacetic acid (TFA) was previously proved to participate in sulfuric acid (SA)–dimethylamine (DMA) nucleation in Shanghai, China. However, complex atmospheric environments can influence the nucleation of aerosol significantly. We show the influence of different atmospheric conditions on the SA-DMA-TFA nucleation and find the enhancement by TFA can be significant in cold and polluted areas, which provides the perspective of the realistic role of TFA in different atmospheric environments.
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Short summary
Marine new particle formation involves precursors such as methanesulfonic acid (MSA), iodic acid (IA), and dimethylamine (DMA), yet their nucleation mechanism remains incompletely understood. This study employs theoretical calculations to examine the IA–MSA–DMA system. We propose a nucleation mechanism that underscores the importance of synergistic interactions between sulfur-, iodine-, and nitrogen-containing vapors in driving marine new particle formation.
Marine new particle formation involves precursors such as methanesulfonic acid (MSA), iodic acid...
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