Efficient degradation and mineralization of ornidazole in aqueous solutions via electro-fenton process using stainless steel electrode as sources of ferrous ions (Fe2+): Experimental and DFT calculations

IF 6.3 2区工程技术 Q1 ENGINEERING, CHEMICAL

Journal of water process engineering Pub Date : 2025-07-14 DOI:10.1016/j.jwpe.2025.108251

Widad El hayaoui , Abdallah El-asri , Wail El mouhri , Naoual Tajat , Iliass Nadif , Jamel Talebi , Abdessalam Bouddouch , Malika Tamimi , Samir Qourzal , Ali Assabbane , Idriss Bakas

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Abstract

Ornidazole (ORD) is a persistent pharmaceutical contaminant commonly used to treat infections caused by anaerobic bacteria and protozoa. This study presents a cost-effective and environmentally friendly approach for the removal of ORD from contaminated environments. Carbon felt was used as the cathode, and stainless steel was used as the sacrificial anode, which also serves as an insitu source of Fenton's catalyst (Fe²⁺) through auto-generation, eliminating the need for external catalyst addition. Different operational parameters were investigated to enhance degradation efficiency. The degradation experiment demonstrated the highest ORD removal efficiency of 90.95 % and a mineralization efficiency of 84.5 % within 120 min under optimal conditions i.e., an applied current of 75 mA, an applied voltage of 2,5 V, an initial solution pH of 5, and an electrode spacing of 1.5 cm. Additionally, quenching experiments confirmed the crucial role of •OH in the degradation process of ORD. Furthermore, the proposed EF process exhibited better effectiveness of ORD degradation even in real water matrices (river water 91.32 % and tap water 94,32 %). Density functional theory (DFT) calculations were conducted to determine the reaction sites of ORD involved in the degradation mechanism.

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利用不锈钢电极作为铁离子（Fe2+）源的电fenton工艺对水溶液中奥硝唑的高效降解和矿化：实验和DFT计算

奥硝唑（Ornidazole， ORD）是一种持久性药物污染物，常用于治疗由厌氧菌和原生动物引起的感染。这项研究提出了一种成本效益高、环境友好的方法，可以从受污染的环境中去除ORD。采用碳毡作为阴极，不锈钢作为牺牲阳极，同时通过自动生成作为Fenton催化剂（Fe2+）的原位来源，从而消除了外部催化剂添加的需要。研究了不同的操作参数以提高降解效率。实验结果表明，在施加电流为75 mA、电压为2.5 V、初始溶液pH为5、电极间距为1.5 cm的最佳条件下，在120 min内，最高的ORD去除率为90.95%，矿化率为84.5%。此外，淬火实验证实了•OH在ORD降解过程中的关键作用。此外，所提出的EF工艺即使在真实的水基质（河水91.32%，自来水94,32%）中也表现出更好的ORD降解效果。通过密度泛函理论（DFT）计算确定了ORD参与降解机理的反应位点。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of water process engineering Biochemistry, Genetics and Molecular Biology-Biotechnology

CiteScore

10.70

自引率

8.60%

发文量

846

审稿时长

24 days

期刊介绍： The Journal of Water Process Engineering aims to publish refereed, high-quality research papers with significant novelty and impact in all areas of the engineering of water and wastewater processing . Papers on advanced and novel treatment processes and technologies are particularly welcome. The Journal considers papers in areas such as nanotechnology and biotechnology applications in water, novel oxidation and separation processes, membrane processes (except those for desalination) , catalytic processes for the removal of water contaminants, sustainable processes, water reuse and recycling, water use and wastewater minimization, integrated/hybrid technology, process modeling of water treatment and novel treatment processes. Submissions on the subject of adsorbents, including standard measurements of adsorption kinetics and equilibrium will only be considered if there is a genuine case for novelty and contribution, for example highly novel, sustainable adsorbents and their use: papers on activated carbon-type materials derived from natural matter, or surfactant-modified clays and related minerals, would not fulfil this criterion. The Journal particularly welcomes contributions involving environmentally, economically and socially sustainable technology for water treatment, including those which are energy-efficient, with minimal or no chemical consumption, and capable of water recycling and reuse that minimizes the direct disposal of wastewater to the aquatic environment. Papers that describe novel ideas for solving issues related to water quality and availability are also welcome, as are those that show the transfer of techniques from other disciplines. The Journal will consider papers dealing with processes for various water matrices including drinking water (except desalination), domestic, urban and industrial wastewaters, in addition to their residues. It is expected that the journal will be of particular relevance to chemical and process engineers working in the field. The Journal welcomes Full Text papers, Short Communications, State-of-the-Art Reviews and Letters to Editors and Case Studies