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Antimony Removal from Aqueous Solution Using Novel α-MnO2 Nanofibers: Equilibrium, Kinetic, and Density Functional Theory Studies

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Herein, we report the synthesis and characterization of a novel α-MnO2 nanofibers (MO-2) prepared via morphological and phase transitions from δ-MnO2 nanoparticles under hydrothermal reaction in the presence of graphene… Click to show full abstract

Herein, we report the synthesis and characterization of a novel α-MnO2 nanofibers (MO-2) prepared via morphological and phase transitions from δ-MnO2 nanoparticles under hydrothermal reaction in the presence of graphene oxide (GO) for the first time. The MO-2 shows long, compact, and uniform nanofiber morphology. The adsorption properties of antimonite (Sb(III)) and antimonate (Sb(V)) on MO-2 were investigated using batch experiments of adsorption isotherms and kinetics. Experimental results show that the adsorption behavior of Sb on MO-2 is spontaneous, exothermic, and pH-dependent and follows the monolayer Langmiur isotherm model, pseudo-second-order kinetic model and external mass transfer model. MO-2 has maximum Sb(III) and Sb(V) adsorption capacities of 111.70 and 89.99 mg/g, respectively. Density functional theory (DFT) calculations indicate that both Sb(III) and Sb(V) have monodentate and bidentate complexes on the (110) facet. The adsorption energies (Ead) analysis demonstrates that the formed mon...

Keywords: density functional; adsorption; mno2 nanofibers; novel mno2; functional theory

Journal Title: ACS Sustainable Chemistry & Engineering
Year Published: 2017

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