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April 5, 2026ChemistrySelect

Adsorptive and Catalytic Removal of Methylene Blue Using Modified Bentonite: Experimental and DFT Study

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Authors

MSMarwan Shamo ShekhoKAKanaan R. AhmedSIShinwar Ahmed Idrees

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Overview

Experimental analysis demonstrates effective Methylene Blue removal in water using modified bentonite, indicating potential for environmental cleanup.

Key Points

  • This research aims to explore the purification of montmorillonite from bentonite clay and its use in removing Methylene Blue from water.
  • Characterization of montmorillonite using XRD, SEM-EDX, TEM, FTIR, DRS, and UV-vis spectrophotometry.
  • Evaluation of adsorption and catalytic degradation of Methylene Blue through various isotherm models like Langmuir and Freundlich.
  • Use of kinetic studies, revealing pseudo-second-order adsorption model and thermodynamic analysis.
  • Application of Box-Behnken Design to assess the impact of different redox agents on catalytic degradation.
  • Methylene Blue was effectively removed through both adsorption and catalytic processes.
  • The adsorption process was determined to be exothermic with a heat of adsorption of -19.1 kJ/mol.
  • H2O2 concentration significantly influenced catalytic degradation with p=0.0141, and synergistic effects were noted with specific redox agent combinations.
  • Density Functional Theory calculations showed favorable electron-transfer properties of montmorillonite, revealing a narrow HOMO-LUMO gap of 0.05 eV.

Cite This Study

Shekho et al. (2026) studied this question.

synapsesocial.com/papers/69d1fd4ea79560c99a0a34b7https://doi.org/10.1002/slct.202505576
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