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Updated: Jun 6, 2026

Sulfate Separation by Selective Crystallization with a Bis-iminoguanidinium Ligand
Published on: September 8, 2016
Sulfate Formation during Heatwaves: Perspective from Observation-Constrained Stabilized Criegee Intermediates
Jingyi Guo1,2, Renzhi Hu1,3, Haotian Cai1,2
1Anhui Institute of Optics and Fine Mechanics, Hefei Institutes of Physical Science, Chinese Academy of Sciences, Hefei 230031, China.
Abstract:
Ozonolysis of alkenes produces stabilized Criegee intermediates (sCIs), whereas the atmospheric oxidation contribution of sCIs remains poorly quantified. In this study, an observation-constrained box model coupled with the RACM2-LIM1 mechanism was used to quantify the concentrations and source-sink processes of sCIs during an autumn field campaign in the Yangtze River Delta. Model reliability was evaluated by comparison with observed OH concentrations and further cross-validated using steady-state estimates of sCIs. The simulated peak concentrations of major monomeric sCIs ranged from 2.1 × 104 to 1.5 × 105 molecules cm-3. Source-sink analysis demonstrated species-specific behavior: CH2OO was primarily removed through reaction with the water dimer, while CH3CHOO and CH3CCH3OO were more strongly coupled to SO2. During heatwaves, the sCIs + SO2 pathway produced H2SO4 at rates comparable to OH+SO2 and remained active at night. Including sCI oxidation increased the maximum secondary sulfate formation rate by 0.5 μg m-3 h-1, accounting for 46.2% of total sulfate production. Gas-phase oxidation contributed 80-90% of secondary sulfate production. A comparison of sulfate formation pathways showed a humidity-dependent shift between gas-phase and aqueous-phase oxidation. These results indicated that neglecting sCI oxidation under heatwaves systematically underestimated sulfate production and regional oxidation capacity.
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