Mechanism and toxicity assessment of carbofuran degradation by persulfate-based advanced oxidation process.

ABSTRACT: The advanced oxidation process based on persulfate has been proven to be a promising method for degrading the highly toxic carbamate pesticide carbofuran (CBF). However, the mechanism of CBF degradation by sulfate radicals (SO₄·^-) and hydroxyl radicals (·OH) is still unclear and requires further research and discussion. This study investigated the mechanism and toxicity assessment of CBF degradation using density functional theory (DFT) theory calculation methods. The results indicated that SO₄·^- and ·OH can undergo addition and abstraction reactions with CBF. Thermodynamic and kinetic analysis showed that the abstraction reaction between SO₄·^- and the secondary H atom is the optimal reaction pathway, exhibiting the highest

SUBMITTER: Zhang C 

PROVIDER: S-EPMC11421621 | biostudies-literature | 2024 Sep

REPOSITORIES: biostudies-literature