Articles | Volume 26, issue 13
https://doi.org/10.5194/acp-26-9357-2026
© 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-26-9357-2026
© Author(s) 2026. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Research article
| 
02 Jul 2026
Research article |
| 02 Jul 2026
| 02 Jul 2026
Interface-dominated hydroxymethanesulfonate and its isomer formation provides key mechanisms for reconciling the atmospheric sulfur budget gap in polluted and cold environments
Yang Liu
State Key Laboratory of Environment Characteristics and Effects for Near-space, Beijing Key Laboratory of Intelligent Molecular Materials and High-throughput Manufacturing, 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, Beijing Key Laboratory of Intelligent Molecular Materials and High-throughput Manufacturing, Key Laboratory of Cluster Science, Ministry of Education of China, School of Chemistry and Chemical Engineering, Beijing Institute of Technology, Beijing, 100081, China
Xiaohua Yang
State Key Laboratory of Environment Characteristics and Effects for Near-space, Beijing Key Laboratory of Intelligent Molecular Materials and High-throughput Manufacturing, Key Laboratory of Cluster Science, Ministry of Education of China, School of Chemistry and Chemical Engineering, Beijing Institute of Technology, Beijing, 100081, China
Yuchen Zhang
State Key Laboratory of Environment Characteristics and Effects for Near-space, Beijing Key Laboratory of Intelligent Molecular Materials and High-throughput Manufacturing, 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, Beijing Key Laboratory of Intelligent Molecular Materials and High-throughput Manufacturing, 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, Beijing Key Laboratory of Intelligent Molecular Materials and High-throughput Manufacturing, 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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Short summary
Current atmospheric models fail to explain observed sulfate concentrations in polluted and cold regions. Using Born–Oppenheimer molecular dynamics (BOMD) 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 water. Strong acidity in polluted aerosols shifts formation toward hydroxymethyl sulfite. These findings help explain long-standing gaps between modeled and observed atmospheric sulfate.
Current atmospheric models fail to explain observed sulfate concentrations in polluted and cold...
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