Atmospheric Chemistry and Physics
Atmospheric Chemistry and Physics
ACP
Articles | Volume 26, issue 13
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.
https://doi.org/10.5194/acp-26-9357-2026
© Author(s) 2026. This work is distributed under
the Creative Commons Attribution 4.0 License.
Articles | Volume 26, issue 13
Research article
 | 
02 Jul 2026
Research article |  | 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, An Ning, Xiaohua Yang, Yuchen Zhang, Ling Liu, and Xiuhui Zhang

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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.
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