▎ 摘　　要

In this study, graphene/Fe3O4 was prepared and utilized as a adsorbent for removal of ten commonly used triazole fungicides in agriculture, namely tebuconazole, hexaconazole, flutriafol, triadimenol, triazolone, epoxiconazole, penconazole, myclobutanil, paclobutrazol and metconazole in aqueous solution. The removal efficiency for ten fungicides (20 mu g/mL) ranged from 85.2% to 96.0% by adding 20 mg of graphene/Fe3O4 into 50 mL water solution. Factors might affect the adsorption capacity, such as contact time, adsorbent amount, solution pH and ionic strength were investigated. The study on adsorption kinetics and thermodynamics were done by taking tebuconazole as an example. Kinetics data followed the pseudo second-order model and adsorption equilibrium conformed to the Langmuir isotherm model. Thermodynamics data revealed that the adsorption was a spontaneous physisorption process in nature. Further, combining the experimental results with molecular docking study, the possible interactions in the adsorption, such as electrostatic interaction, hydrogen bonding interaction, pi-pi stacking, hydrophobic interaction and cation-pi interaction were discussed, and pi-pi stacking seemed to be the dominant factor, which provided a new insight for understanding how the adsorbates interact with graphene. (C) 2018 Taiwan Institute of Chemical Engineers. Published by Elsevier B.V. All rights reserved.