Experimental and molecular dynamics simulation study on the adsorption of Rhodamine B dye on magnetic montmorillonite composite gamma-Fe2O3@Mt

Ouachtak H., El Haouti R., El Guerdaoui A., Haounati R., Amaterz E., Addi A. A., ...Daha Fazla

JOURNAL OF MOLECULAR LIQUIDS, cilt.309, 2020 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 309
  • Basım Tarihi: 2020
  • Doi Numarası: 10.1016/j.molliq.2020.113142
  • Dergi Adı: JOURNAL OF MOLECULAR LIQUIDS
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Chemical Abstracts Core, Chimica, Compendex, INSPEC
  • Anahtar Kelimeler: Adsorption, Clay mineral, Montmorillonite, gamma-Fe2O3, Rhodamine B dye, Molecular dynamic simulations, WALLED CARBON NANOTUBES, METHYLENE-BLUE, WASTE-WATER, EFFICIENT REMOVAL, AQUEOUS-SOLUTION, FORCE-FIELD, HEAVY-METAL, CONGO-RED, NANOPARTICLES, ADSORBENTS
  • Ondokuz Mayıs Üniversitesi Adresli: Evet

Özet

In the present work, we synthesized successfully novel magnetic montmorillonite composite gamma-Fe2O3@Mt by a ladle co-predpitation method of Fe2+ and Fe3+ in alkaline solution in the presence of montmorillonite clay mineral. The structural, morphological and chemical properties of the gamma-Fe2O3@Mt samples were characterized by Fourier transform infrared spectroscopy, Thermogravimetric Analysis/differential thermal analysis, Scanning Electron Microscopy/Energy Dispersive X-Ray Spectroscopy, Energy Dispersive X-Ray Spectroscopy/Elemental Mapping, Transmission electron microscopy, X-ray diffraction, Brunauer-Emmett-Teller surface area, zeta potential and magnetic properties. The adsorption process of Rhodamine B (cationic dye) onto gamma-Fe2O3@Mt was examined as a function of adsorbent amount, pH, contact time and initial dye concentration. The maximum quantity adsorbed of RhB dye onto Fe2O3@ Mt was found as 20920 mg/g. The kinetic study indicated that the adsorption equilibrium of Rhodamine B dye onto gamma-Fe2O3@Mt was obtained after 25 min. The adsorption isotherms were described by Langmuir isotherm model suggesting that the Rhodamine B dye molecules arc adsorbed homogeneously on a monolayer surface of gamma-Fe2O3@Mt. The experimental data were well fitted to a pseudosecond-order kinetic model (R-2 > 0.99). A Computational modeling was performed in order to obtain deeper mechanistic insights on the adsorption behaviour of the RhB dye molecules onto gamma-Fe2O3@Mt.composite.