Evaluation of adsorption performance and quantum chemical modeling of pesticides removal using Cell-MG hybrid adsorbent

Magnetite (MG) modified cellulose membrane (Cell-MG), obtained by reaction of 3-aminosilane and subsequently with diethylenetriaminepentaacetic acid dianhydride functionalized waste Cell fibers (Cell-NH2 Cell-DTPA, respectively), amino-modified diatomite was used for Azoxystrobin Iprodione removal from water. Cell-MG structurally morphologically characterized using FT-IR FE-SEM techniques. The influences operational parameters, i.e. pH, contact time, temperature, the mass adsorbent on adsorption kinetics were studied in a batch system. calculated capacities 35.32 30.16 mg g-1 Iprodione, respectively, non-linear Langmuir model fitting. Weber-Morris fitting indicates main contribution intra-particle diffusion to overall transport resistance. Thermodynamic data indicate spontaneous endothermic adsorption. reusability results wastewater purification showed that could be as general-purpose adsorbent. adsorbent/adsorbate surface interaction considered density functional theory (DFT) calculation molecular electrostatic potential (MEP). Thus, better understanding relation between performances non-specific specific interactions design novel improved properties deduced