Accelerate sulfamethoxazole degradation and detoxification by persulfate mediated with Fe2+&dithionite: Experiments and DFT calculation

Song，Wei1; Zhou，Yuxin2; Wang，Zhuoyue2; Li，Ji2; Zhang，Xiaolei2; Fu，Caixia3; Du，Xing1; Wang，Zhihong1; Qiu，Wenhui4

2022-08-15

10.1016/j.jhazmat.2022.129254

JOURNAL OF HAZARDOUS MATERIALS   影响因子和分区

0304-3894

1873-3336

Advanced oxidation process (AOPs) is one of the most effective technologies for organic pollutants removal. In this study, diverse reactive species generation and enhanced sulfamethoxazole (SMX) degradation were investigated based on persulfate (PDS) activated by Fe&dithionite (DTN). When involving Fe&dithionite in PDS, SMX degradation efficiency reached 84 % within 30 min following a pseudo-first-order kinetic, which was higher than those in Fe/PDS (50.4 %) and Fe/O/DTN (41.3 %). SO and OH were identified as dominant reactive species with a crucial role of FeSO based on quenching experiment and electron spin resonance (ESR). The contributions of SO, OH, and other species to SMX degradation were 60.1 %, 33.9 %, and 6 %, respectively. In Fe/DTN/PDS system, SMX was effectively degraded under nearly neutral pH (5.0–9.0), with activation energy of 96.04 kJ·mol. The experiments and density functional theory (DFT) calculation demonstrated that three functional groups (benzenesulfonamido, benzene ring, and oxazole ring) were attacked for SMX degradation. Moreover, acute toxicity to Vibrio fischeri has enhanced in the earlier degradation process due to the intermediates and weaken with the continuous reaction. This work not only provides a high-activity SO-AOP for refractory pollutant treatment with possible dual radical generation resources, but elucidated diverse reactive species formation with Fe&dithionite.

Density functional theory (DFT) Detoxification Fe2+&dithionite Persulfate Sulfamethoxazole

SCI ; EI

英语

通讯

Shenzhen Sustainable Development Project[KCXFZ20201221173602008] ; Shenzhen Scientific Research Foundation for High-level Talent[KQJSCX20180328165658476]

Engineering ; Environmental Sciences & Ecology

Engineering, Environmental ; Environmental Sciences

WOS:000810937800004

ELSEVIER

20222412211735

Activation energy ; Degradation ; Density functional theory ; Electron spin resonance spectroscopy ; Iron compounds ; Magnetic moments ; Organic pollutants ; Reaction intermediates

Magnetism: Basic Concepts and Phenomena:701.2 ; Chemistry:801 ; Chemical Reactions:802.2 ; Chemical Products Generally:804 ; Organic Compounds:804.1 ; Probability Theory:922.1 ; Atomic and Molecular Physics:931.3 ; Quantum Theory; Quantum Mechanics:931.4

ENGINEERING

2-s2.0-85131447985

Scopus

1.School of Civil and Transportation Engineering,Guangdong University of Technology,Guangzhou,510006,China
2.School of Civil and Environmental Engineering,Shenzhen Key Laboratory of Water Resource Application and Environmental Pollution Control,Harbin Institute of Technology (Shenzhen),Shenzhen,518055,China
3.School of Environmental Science and Engineering,Southern University of Science and Technology,Shenzhen,518055,China
4.School of Public Health and Emergency Management,Southern University of Science and Technology,Shenzhen,518055,China

Song，Wei,Zhou，Yuxin,Wang，Zhuoyue,et al. Accelerate sulfamethoxazole degradation and detoxification by persulfate mediated with Fe2+&dithionite: Experiments and DFT calculation[J]. JOURNAL OF HAZARDOUS MATERIALS,2022,436.

Song，Wei.,Zhou，Yuxin.,Wang，Zhuoyue.,Li，Ji.,Zhang，Xiaolei.,...&Qiu，Wenhui.(2022).Accelerate sulfamethoxazole degradation and detoxification by persulfate mediated with Fe2+&dithionite: Experiments and DFT calculation.JOURNAL OF HAZARDOUS MATERIALS,436.

Song，Wei,et al."Accelerate sulfamethoxazole degradation and detoxification by persulfate mediated with Fe2+&dithionite: Experiments and DFT calculation".JOURNAL OF HAZARDOUS MATERIALS 436(2022).