HIO <subscript>3</subscript> -HIO <subscript>2</subscript> -Driven Three-Component Nucleation: Screening Model and Cluster Formation Mechanism.
In: Environmental science & technology, Jg. 58 (2024-01-09), Heft 1, S. 649-659
academicJournal
Zugriff:
Iodine oxoacids (HIO 3 and HIO 2 )-driven nucleation has been suggested to efficiently contribute to new particle formation (NPF) in marine atmospheres. Abundant atmospheric nucleation precursors may further enhance HIO 3 -HIO 2 -driven nucleation through various multicomponent nucleation mechanisms. However, the specific enhancing potential (EP) of different precursors remains largely unknown. Herein, the EP-based screening model of precursors and enhancing mechanism of the precursor with the highest EP on HIO 3 -HIO 2 nucleation were investigated. The formation free energies (Δ G ), as critical parameters for evaluating EP, were calculated for the dimers of 63 selected precursors with HIO 2 . Based on the Δ G values, (1) a quantitative structure-activity relationship model was developed for evaluating Δ G of other precursors and (2) atmospheric concentrations of 63 (precursor) 1 (HIO 2 ) 1 dimer clusters were assessed to identify the precursors with the highest EP for HIO 3 -HIO 2 -driven nucleation by combining with earlier results for the nucleation with HIO 3 as the partner. Methanesulfonic acid (MSA) was found to be one of the precursors with the highest EP. Finally, we found that MSA can effectively enhance HIO 3 -HIO 2 nucleation at atmospheric conditions by studying larger MSA-HIO 3 -HIO 2 clusters. These results augment our current understanding of HIO 3 -HIO 2 and MSA-driven nucleation and may suggest a larger impact of HIO 2 in atmospheric aerosol nucleation.
Titel: |
HIO <subscript>3</subscript> -HIO <subscript>2</subscript> -Driven Three-Component Nucleation: Screening Model and Cluster Formation Mechanism.
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Autor/in / Beteiligte Person: | Zhang, R ; Ma, F ; Zhang, Y ; Chen, J ; Elm, J ; He, XC ; Xie, HB |
Zeitschrift: | Environmental science & technology, Jg. 58 (2024-01-09), Heft 1, S. 649-659 |
Veröffentlichung: | Washington DC : American Chemical Society ; <i>Original Publication</i>: Easton, Pa. : American Chemical Society, c1967-, 2024 |
Medientyp: | academicJournal |
ISSN: | 1520-5851 (electronic) |
DOI: | 10.1021/acs.est.3c06098 |
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