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- W3097424871 abstract "The current study proposes fabrication of novel manganese and copper (Mn/Cu) based bimetallic nano particles (NPs) for adsorptive removal of mercury (Hg) ions from aqueous media and examines computational models for adsorption. The Mn/Cu bimetallic NPs were characterized for Atomic Force Microscope (AFM), Energy Dispersive X-rays Spectroscopy (EDS), X-Ray Diffraction (XRD) and Dynamic Light Scattering (DLS) techniques to investigate morphology, surface elemental composition and particle size analysis. Sorption of Hg was carried out using batch experiments in triplicate and residual Hg concentration after sorption was determined using cold vapor atomic absorption spectrometer (CV-AAS). The effect of various parameters such as pH, mass of nano particles, Hg concentration and contact time were optimized. Maximum removal efficiency was 95 % with 2.89 % RSD and maximum adsorption capacity (Q max) observed was 400 mg g-1. AFM images well separated morphology and mean grain size of 450 ± 50 nm of particles, DLS measured average particles size as 110 nm while XRD pattern and EDS results showed successful adsorption of Hg on Mn/Cu bimetallic surface. Ab initio based computational models for different geometries were optimized using semi empirical method through Gaussian software. Computational molecular models were optimized for structures before and after Hg sorption and important physical parameters such as electron spin, Root mean square (RMS) gradient, Adsorption energy, Mulliken charge density (Q) and bond lengths (BL) before and after adsorption were computed. It was concluded that Langmuir adsorption isotherm was favorable for this study and interaction of Hg was more favorable with Mn than Cu because of less adsorption energy (-112.48 eV) and stronger bond formation between them having bond length of 1.6433 Å." @default.
- W3097424871 created "2020-11-09" @default.
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- W3097424871 date "2021-02-01" @default.
- W3097424871 modified "2023-09-27" @default.
- W3097424871 title "Novel bimetallic nano particles for sorption of mercury (II) from drinking water: Adsorption experiment and computational studies" @default.
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- W3097424871 doi "https://doi.org/10.1016/j.jwpe.2020.101727" @default.
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