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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.
Stabilized Criegee intermediates (sCIs) significantly impact atmospheric sulfate production, especially during heatwaves. Neglecting sCI oxidation underestimates sulfate formation and regional oxidation capacity.
Area of Science:
- Atmospheric Chemistry
- Environmental Science
- Chemical Kinetics
Background:
- Stabilized Criegee intermediates (sCIs) are products of alkene ozonolysis, but their atmospheric role is not well understood.
- Quantifying the contribution of sCIs to atmospheric oxidation and secondary sulfate formation is crucial for air quality modeling.
Purpose of the Study:
- To quantify sCI concentrations and their source-sink processes in the Yangtze River Delta.
- To assess the impact of sCI oxidation on secondary sulfate production, particularly during heatwave conditions.
Main Methods:
- Utilized an observation-constrained box model with the RACM2-LIM1 mechanism.
- Evaluated model reliability against observed OH concentrations and steady-state sCI estimates.
- Analyzed species-specific sCI behavior and their reactions with SO2 and water dimers.
Main Results:
- Simulated peak monomeric sCI concentrations ranged from 2.1 × 10^4 to 1.5 × 10^5 molecules cm^-3.
- CH2OO reacted mainly with water dimers, while other sCIs reacted with SO2.
- The sCI + SO2 pathway significantly contributed to H2SO4 production during heatwaves, even at night, increasing sulfate formation rates by 46.2%.
Conclusions:
- sCI oxidation is a critical, often underestimated, pathway for secondary sulfate production.
- Gas-phase oxidation dominates sulfate formation, with a humidity-dependent shift towards aqueous-phase oxidation.
- Accurate air quality models must incorporate sCI chemistry, especially under heatwave conditions, to correctly estimate sulfate production and oxidation capacity.
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