Sulfite activation using FeO as a source of ferrous ions for fluoxetine degradation: A collaborated experimental and DFT study
CHEMICAL ENGINEERING JOURNAL(2022)
Abstract
In this study, we constructed an advanced oxidation process using FeO for sulfite (S(IV)) activation. By selecting antidepressant fluoxetine (FLX) as the target, the FeO/S(IV) system's performance was investigated. Up to 84.4% of FLX could be rapidly eliminated in 17.5 min under optimal reaction conditions. The results confirmed that the S(IV) activation was dominantly attributed to the released Fe2+ from FeO, rather than an interface reaction, supported by theoretical calculations and electrochemical characterization. Besides, the Fe-S(IV) complex geometry was determined using density functional theory (DFT), indicating a Fe-O-S ligand form. Energy files demonstrate the decomposition of FeSO3+ complex might be endothermic. These findings provide new insight into the Fe(II)/S(IV) mechanism. The generated SO4 center dot- primarily caused FLX removal, where 23 product types were detected. The degradation pathway was proposed, mostly containing hydroxylation and ring-opening, which decreased the toxicity of FLX. Furthermore, the FeO/S(IV) system had good reusability and applicability, maintaining high efficiency in real water. Compared to peroxydisulfate and peroxymonosulfate, S(IV) had obvious advantages in FeO-induced activation. This research discloses a promising technology for the FeO/S(IV) water treatment system.
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Key words
Iron(II) oxide,Sulfite activation,Ferrous ions,Fluoxetine,Sulfate radical,DFT
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