Green extraction of α-nitroso-β-naphthol from wastewater using hydrophobic deep eutectic solvents: A comprehensive study of efficiency and mechanism

IF 7.3 2区环境科学与生态学 Q1 ENVIRONMENTAL SCIENCES Environmental Pollution Pub Date : 2025-03-15 Epub Date: 2025-02-12 DOI:10.1016/j.envpol.2025.125855

Jie Qian , Ying-hua Li , Di Luo , Si-nan Liu , Fei Su , Jun-xiang Wang

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Abstract

αNβN is widely used as a typical mineral flotation agent in mining extraction areas, which causes serious environmental risks. In this study, natural hydrophobic deep eutectic solvents (HDES) were innovatively used as extractants to remove αNβN from wastewater. A total of 120 HDES candidates were initially screened via COSMO-RS simulations and validated by batch extraction tests, identifying Dec:Thy (1:3 mol:mol) as the most efficient formulation. Under optimal conditions (pH 7, 25 °C, HDES-to-water ratio 1:50), this HDES achieved over 90% αNβN removal within 1 min of mixing. Characterization (DSC, TGA) confirmed its thermal stability and low viscosity, facilitating rapid phase separation. Reusability experiments further demonstrated that the HDES maintained above 90% extraction efficiency over at least eight consecutive cycles. Molecular dynamics simulations showed that the extraction process was mainly driven by van der Waals forces, with some hydrogen bonding as an aid to enhance the affinity of HDES for αNβN. These findings highlight a green, safe, and effective approach for remediating αNβN-contaminated mining wastewater and underscore the potential of HDES as next-generation extractants for organic pollutants.

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疏水深共晶溶剂绿色萃取废水中α-亚硝基-β-萘酚的效率及机理研究

α n - β n作为一种典型的矿物浮选剂广泛应用于矿山采掘区，造成了严重的环境风险。本研究创新性地采用天然疏水深共晶溶剂（HDES）作为萃取剂去除废水中的α n - β n。通过cosmoo - rs模拟初步筛选了120种HDES候选物，并通过批量提取试验进行了验证，确定了Dec:Thy （1:3 mol:mol）为最有效的配方。在最佳条件下（pH为7,25°C， HDES与水的比例为1:50），该HDES在混合1分钟内达到90%以上的α n - β n去除率。表征（DSC， TGA）证实了其热稳定性和低粘度，有利于快速相分离。重复使用实验进一步表明，HDES在至少8个连续循环中萃取效率保持在90%以上。分子动力学模拟结果表明，HDES的萃取过程主要受范德华力驱动，氢键作用增强了HDES对α n - β n的亲和力。这些发现强调了一种绿色、安全、有效的修复α n - β n污染的采矿废水的方法，并强调了HDES作为新一代有机污染物萃取剂的潜力。

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来源期刊

Environmental Pollution 环境科学-环境科学

CiteScore

16.00

自引率

6.70%

发文量

2082

审稿时长

2.9 months

期刊介绍： Environmental Pollution is an international peer-reviewed journal that publishes high-quality research papers and review articles covering all aspects of environmental pollution and its impacts on ecosystems and human health. Subject areas include, but are not limited to: • Sources and occurrences of pollutants that are clearly defined and measured in environmental compartments, food and food-related items, and human bodies; • Interlinks between contaminant exposure and biological, ecological, and human health effects, including those of climate change; • Contaminants of emerging concerns (including but not limited to antibiotic resistant microorganisms or genes, microplastics/nanoplastics, electronic wastes, light, and noise) and/or their biological, ecological, or human health effects; • Laboratory and field studies on the remediation/mitigation of environmental pollution via new techniques and with clear links to biological, ecological, or human health effects; • Modeling of pollution processes, patterns, or trends that is of clear environmental and/or human health interest; • New techniques that measure and examine environmental occurrences, transport, behavior, and effects of pollutants within the environment or the laboratory, provided that they can be clearly used to address problems within regional or global environmental compartments.