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Mechanism of sonication time on structure and adsorption properties of 3D peanut shell/graphene oxide aerogel

机译:3D花生壳/石墨烯氧化物气凝胶结构及吸附性能及吸附性能的机制

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摘要

A 3D pretreated peanut shell-supported graphene oxide (PPS/GO) aerogel has been facilely prepared through a brief sonication + freeze-shaping technique, avoiding the traditional application of hydrothermal method which suffered from high temperature and long reaction time as well as significant loss of oxygen-containing functional groups. It was then employed to efficient norfloxacin (NOR) removal from aqueous medium. The mechanism of sonication time on the structure and adsorption properties of as-obtained PPS/GO aerogels was emphatically discussed via combining instrumental analyses, batch adsorption experiments and density functional theory (DFT) calculations. Results showed that the 3D PPS/GO aerogel with a decrease in oxygen functional groups and an increase in sp~2-derived sp~3 hybridization regions was observed as sonication time provided in excess, causing the worse removal efficiency towards NOR. The resulting PPS/GO(5:1) aerogel obtained at sonication of 2 min and GO loading content of 200 mg/(PPS)g exhibited the optimal NOR adsorption capacity (pH 6.2, 228.83 mg g~(-1)). DFT calculations further identified that the sp~3-hybridized areas in PPS/GO aerogel had much lower adsorption energy (ΔE, -6.69 kcal/mol) towards NOR as compared with that of sp~2-hybridized zones (- 12.45 kcal/mol). In addition, multiple interactions were involved in the adsorption of NOR by 3D PPS/GO aerogel, including electrostatic attraction, H-bonding, π-π conjugation and hydrophobic effect.
机译:通过简短的超声+冷冻成型技术,避免了高温和长反应时间的水热法以及显着损失的水热法,避免了一种3D预处理的花生壳支持的石墨烯氧化物(PPS / GO)气凝块。含氧官能团。然后使用它以高效地从水性介质中除去诺氟沙星(也不是)。通过组合仪器分析,批量吸附实验和密度泛函理论(DFT)计算,强调讨论了SOS获得的PPS / GO AROGELS结构和吸附性能的超声处理。结果表明,3D PPS /去气凝胶随着氧官能团的降低和SP〜2-衍生的SP〜3杂交区的增加,作为超量提供的超声处理时间,导致较差的去除效率也不是。得到的PPS / GO(5:1)在超声处理中获得的2分钟和去加载含量为200mg /(pps)g的气体,表现出最佳的或pH6.2,228.83mg g〜(-1))。进一步确定了PPS / GO气凝胶中的SP〜3杂交区域与SP〜2杂交的区域( - 12.45千卡/摩尔)的吸附能量(ΔE,-6.69kcal / mol)较低。 )。此外,多种相互作用涉及3D PPS / GO气凝胶的吸附,包括静电吸引,H键合,π-π缀合和疏水效果。

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  • 来源
    《Science of the total environment》 |2020年第15期|139983.1-139983.10|共10页
  • 作者单位

    Shandong Provincial Key Laboratory of Water Pollution Control and Resource Reuse School of Environmental Science and Engineering Shandong University Jinan 250100 China;

    Shandong Provincial Key Laboratory of Water Pollution Control and Resource Reuse School of Environmental Science and Engineering Shandong University Jinan 250100 China;

    Shandong Provincial Key Laboratory of Water Pollution Control and Resource Reuse School of Environmental Science and Engineering Shandong University Jinan 250100 China;

    School of Environment State Key Joint Laboratory of Environment Simulation and Pollution Control Tsinghua University Beijing 100084 China;

    Shenzhen Chang Long Technology Co. Ltd. Shenzhen 518060 China;

    Shandong Provincial Key Laboratory of Water Pollution Control and Resource Reuse School of Environmental Science and Engineering Shandong University Jinan 250100 China;

    Hubei Key Laboratory of Biomass Fibers and Eco-dyeing & Finishing School of Chemistry and Chemical Engineering Wuhan Textile University Wuhan 430073 China;

    Shandong Provincial Key Laboratory of Water Pollution Control and Resource Reuse School of Environmental Science and Engineering Shandong University Jinan 250100 China;

    Shandong Provincial Key Laboratory of Water Pollution Control and Resource Reuse School of Environmental Science and Engineering Shandong University Jinan 250100 China;

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  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

    3D PPS/GO aerogel; Sonication; DFT calculation; Norfloxacin adsorption;

    机译:3D PPS / GO气凝胶;超声处理;DFT计算;NORFLOXACIN吸附;

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