Enhancing Zn (II) recovery efficiency: Bi-divalent nickel–cobalt ferrite spinel NiXCo1-xFe2O4 as a Game-changing Adsorbent—an experimental and computational study

被引：8

作者：

Rafie S.F. ^{[1
]}

Abu-Zahra N. ^{[1
,2
]}

Sabetvand R. ^{[3
]}

机构：

[1] Materials Science and Engineering Department, University of Wisconsin-Milwaukee, Milwaukee, 53211, WI

[2] Electrical Engineering Department, King Abdullah II School of Engineering, Princess Sumaya University for Technology, Amman

[3] Department of Energy Engineering and Physics, Faculty of Condensed Matter Physics, Amirkabir University of Technology, Tehran

来源：

Chemosphere | 2024年 / 362卷

关键词：

Adsorption; Desorption; Ferrite spinels; Hydrothermal; Molecular dynamics simulations; Zinc(II);

D O I：

10.1016/j.chemosphere.2024.142702

中图分类号：

学科分类号：

摘要：

This study presents a comprehensive investigation into NiXCo1-xFe2O4 (x = 0.5) spinel nanoparticles synthesized through a one-pot hydrothermal method using Co(NO3)2.6H2O and Ni(NO3)2.6H2O salts. XRD, FTIR, FESEM, and VSM analyses confirmed a cubic structure of NiXCo1-xFe2O4 (x = 0.5) nanoparticles without impurities. These nanoparticles exhibit efficient Zn (II) adsorption characteristics, following Langmuir isotherm and pseudo-second-order kinetics. The maximum adsorption capacity was measured to be 666.67 mg g−1 at pH = 7, with mechanisms involving both electrostatic attraction and cation exchange. Desorption studies indicate more than 75% Zn (II) recovery in an acidic environment (pH = 2) after three cycles. Computational analysis was used to validate the experimental results through Molecular Dynamics simulations, initially focusing on NiXCo1-xFe2O4 (x = 0.5). Further exploration involved variations in x at 0.25 and 0.75 to identify the optimal Ni and Co ratio in this bivalent cation spinel ferrite. Computational analyses reveal the superior performance of NiXCo1-xFe2O4 (x = 0.75) in Zn (II) removal, supported by radial distribution analysis, VdW energy, Coulombic energy, mean square displacement (MSD), root mean square displacement (RMSD), and interaction energy. This comprehensive study provides valuable insights into the adsorption behavior and structural stability of NiXCo1-xFe2O4 nanoparticles, showcasing potential applications in Zn (II) removal. © 2024 Elsevier Ltd

引用