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Glyphosate adsorptive behaviour using magnetic activated carbon: kinetics, isotherms, and DFT study

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Abstract

Groundnut shell is an agricultural waste material that was employed in the pyrolysis process to produce activated carbon using ferric chloride activation (Fe@GNS-AC) (T = 500–700 °C; N2 = 120 cm3/min). Fe@GNS-AC was conducted to remove glyphosate from aqueous solution through batch adsorption technique. The physiochemical properties of adsorbent was investigated following methods such as BETsurface, X-ray diffraction (XRD), Field emission scanning electron microscopy (FESEM), Energy dispersive X-ray analysis (EDS), X-ray photoelectron spectroscopy (XPS), Boehm’s titration, Point zero charge (pHZPC), total pore volume, and Fourier transform infrared spectroscopy (FT-IR). The maximum glyphosate adsorption capacity of 267.91 mg.g−1 was achieved by the remaining parameters, namely, pH 4.6, initial adsorbate concentration (30 mg/L), contact time (60 min), and adsorbent dose (0.5 g). The equilibrium was ascribed using Langmuir, Freundlich, and Sips isotherms, where Sips and Freundlich model fits better (R2 > 0.9) to equilibrium data. The kinetics models were well described with the pseudo-second-order kinetic and film diffusion mechanisms (R2 > 0.9). The thermodynamic parameter for adsorption was exothermic and spontaneous in chemisorption mechanism (ΔH =  − 29.416 kJ/mol; ΔG =  − 13.838 to − 10.345 kJ/mol, T = 303-353 K). The DFT calculation was employed to understand the density of state (DOS), electrophilicity index (ω), chemical potential (μ), and chemical hardness (η) of the surface complexion in fermi level, and the mechanism suggested that chemisorption phenomenon is dominated by electronic interferences with Mullikan atomic charge transfer. Finally, exhausted adsorbent was examined by desorption mechanism and sodium chloride performed high eluting agent at fourth time cyclic process (80.39%). This study provides information Fe@GNS-AC synthesis, and removal of glyphosate. It may also benefit the separation of agricultural water or industrial wastewater treatment.

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Acknowledgements

The authors would like to thank the University of Burdwan, for helping to characterization and Department of Environmental Sciences (B.U) for the convenience and assistance of continuing research work. Others instrumentals are provided from DST-FIST (SR/FST/ESI-141/2015, dt: 30.09.2019) and WBDST-BOOST, Govt. of West Bengal (39/WBBDC/1p-2/2013, dt: 25.03.2015).

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  1. Environmental Chemistry Laboratory, Department of Environmental Science, The University of Burdwan, Purba Bardhaman, WB, 713104, India

    Kamalesh Sen & Naba Kumar Mondal

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Correspondence to Naba Kumar Mondal.

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Sen, K., Mondal, N.K. Glyphosate adsorptive behaviour using magnetic activated carbon: kinetics, isotherms, and DFT study. Biomass Conv. Bioref. 13, 13221–13234 (2023). https://doi.org/10.1007/s13399-021-02193-3

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