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Efficiency and mechanism of adsorption for imidacloprid removal from water by Fe-Mg co-modified water hyacinth-based biochar: batch adsorption, fixed-bed adsorption, and DFT calculation

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dc.contributor.authorJi, X.
dc.contributor.authorLiu, Y.
dc.contributor.authorGao, Z.
dc.contributor.authorLin, H.
dc.contributor.authorXu, X.
dc.contributor.authorZhang, Y.
dc.contributor.authorZhu, K.
dc.contributor.authorZhang, Y.
dc.contributor.authorSun, H.
dc.contributor.authorDuan, J.
dc.date.issued2024
dc.descriptionData source: Supplementary data, https://doi.org/10.1016/j.seppur.2023.125235
dc.description.abstractIn the study, iron (Fe, III) and magnesium (Mg, II) co-modified water hyacinth-based biochar (Fe/Mg–WHBC) to adsorb imidacloprid from water was prepared by using water hyacinth as raw material, and Fe and Mg salts as modifiers. The results showed that the adsorption capacity of Fe/Mg–WHBC (114 mg/g) was greatly improved, 15.34 times that of the unmodified water hyacinth biochar (WHBC, 7.41 mg/g). The imidacloprid adsorption of Fe/Mg–WHBC follows the pseudo-secondary-kinetics and Sips adsorption isotherm. The mechanisms of Fe/Mg–WHBC adsorption for imidacloprid included surface complexation, hydrogen bonding, π–π interaction, electrostatic interaction, and pore-filling. DFT calculation indicates that surface complexation between the metal oxides on Fe/Mg–WHBC and imidacloprid has been the major adsorption mechanism. The Fe/Mg–WHBC had good adsorption efficiency for a variety of pollutants, environmental safety, stability, and reusability. Moreover, the adsorption efficiency pattern of Fe/Mg–WHBC for different target pollutants was verified by the DFT calculation on the binding energy of biochar to the pollutants. The bench scale fixed-bed adsorption experiments indicated that the BJP model could better describe the dynamic adsorption behavior of imidacloprid in the biochar fixed bed. The penetration time was only reduced by 27.6% after five adsorption-regeneration cycles of the fixed-bed. Overall, this study demonstrated that the Fe/Mg–WHBC adsorption to remove imidacloprid from water could be potentially applicable in water treatment engineering.
dc.identifier.citationSeparation and Purification Technology, 2024; 330(C):1-16
dc.identifier.doi10.1016/j.seppur.2023.125235
dc.identifier.issn1383-5866
dc.identifier.issn1873-3794
dc.identifier.urihttps://hdl.handle.net/11541.2/36636
dc.language.isoen
dc.publisherElsevier
dc.relation.fundingNatural Science Foundation of Shandong Province ZR2021ME119
dc.relation.fundingNatural Science Foundation of Shandong Province ZR2017BEE016
dc.relation.fundingOpen Foundation for Shandong Provincial Key Laboratory of Water and Soil Conservation and Environmental Protection STKF202311
dc.relation.fundingYantai University TM17B19
dc.rightsCopyright 2023 Elsevier B.V. Access Condition Notes: Accepted manuscript available after 01 October 2025
dc.source.urihttps://doi.org/10.1016/j.seppur.2023.125235
dc.subjectadsorption mechanism
dc.subjectbatch and fixed-bed adsorption
dc.subjectDFT calculation
dc.subjectengineering application potential
dc.subjectFe/Mg–WHBC
dc.subjectimidacloprid
dc.titleEfficiency and mechanism of adsorption for imidacloprid removal from water by Fe-Mg co-modified water hyacinth-based biochar: batch adsorption, fixed-bed adsorption, and DFT calculation
dc.typeJournal article
pubs.publication-statusPublished
ror.fileinfo12277669060001831 13305649640001831 9916803331301831_AM
ror.mmsid9916803331301831

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