Discerning the role of a site cation in ACoO 3 perovskites for boosting Co 3+ /Co 2+ redox cycle for pollutant degradation: DFT calculation, mechanism and toxicity evolution.

Autor: Kumar A; Institute for Water and Wastewater Technology, Durban University of Technology, P.O. Box 1334, Durban, 4001, South Africa; Chemical Engineering Department, Indian Institute of Technology Roorkee, Haridwar, Uttarakhand, 247667, India. Electronic address: ArvindK@dut.ac.za., Ahamad A; Chemical Engineering Department, Indian Institute of Technology Roorkee, Haridwar, Uttarakhand, 247667, India. Electronic address: a_ahmad@ch.iitr.ac.in., Prasad B; Chemical Engineering Department, Indian Institute of Technology Roorkee, Haridwar, Uttarakhand, 247667, India. Electronic address: basheshwer.prasad@ch.iitr.ac.in., Bux F; Institute for Water and Wastewater Technology, Durban University of Technology, P.O. Box 1334, Durban, 4001, South Africa. Electronic address: faizalb@dut.ac.za., Kumari S; Institute for Water and Wastewater Technology, Durban University of Technology, P.O. Box 1334, Durban, 4001, South Africa. Electronic address: sheenak1@dut.ac.za.
Jazyk: angličtina
Zdroj: Environmental research [Environ Res] 2024 Oct 15; Vol. 259, pp. 119533. Date of Electronic Publication: 2024 Jul 01.
DOI: 10.1016/j.envres.2024.119533
Abstrakt: The degradation of persistent and refractory pollutants, particularly plastic and resins manufacturing wastewater, poses a significant challenge due to their high toxicity and high concentrations. This study developed a novel hybrid ACoO 3 (A = La, Ce, Sr)/PMS perovskite system for the treatment of multicomponent (MCs; ACN, ACM and ACY) from synthetic resin manufacturing wastewater. Synthesized perovskites were characterized by various techniques i.e., BET, XRD, FESEM with EDAX, FTIR, TEM, XPS, EIS, and Tafel analysis. Perovskite LaCoO 3 exhibited the highest degradation of MCs i.e., ACN (98.7%), ACM (86.3%), and ACY (56.4%), with consumption of PMS (95.2%) under the optimal operating conditions (LaCoO 3 dose 0.8 g/L, PMS dose 2 g/L, pH 7.2 and reaction temperature 55 °C). The quantitative contribution (%) of reactive oxygen species (ROS) reveals that SO 4 •- are the dominating radical species, which contribute to ACN (58.3% for SO 4 •- radicals) and ACM degradation (46.4% for SO 4 •- radicals). The tafel plots and EIS spectra demonstrated that perovskites LaCoO 3 have better charge transfer rates and more reactive sites that are favorable for PMS activation. Further, four major degradation pathways were proposed based on Fukui index calculations, as well as GC-MS characterization of intermediate byproducts. Based on a stability and reusability study, it was concluded that LaCoO 3 perovskites are highly stable, and minimal cobalt leaching occurs (0.96 mg/L) after four cycles. The eco-toxicity assessment performed using QSAR model indicated that the byproducts of the LaCoO 3 /PMS system are non-toxic nature to common organism (i.e., fish, daphnids and green algae). In addition, the cost of the hybrid LaCoO 3 /PMS system in a single cycle was estimated to be $34.79 per cubic meter of resin wastewater.
Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.
(Copyright © 2024. Published by Elsevier Inc.)
Databáze: MEDLINE
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