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Magnetically Modified Bentonite for Optimized Erythromycin Removal via RSM and DFT Analysis.

Ying-Chieh Hung¹, Yu-Qi Wu¹, Ru-Hau Ye¹

¹Department of Chemical Engineering and Biotechnology, National Taipei University of Technology, No. 1, Sec. 3, Zhongxiao E. Rd., Taipei City 106, Taiwan.

Molecules (Basel, Switzerland)

|May 7, 2025

Summary

A novel magnetic bentonite adsorbent effectively removes erythromycin (ERY) from water. Optimized conditions achieved 96.2% removal, offering a promising solution for antibiotic contamination.

Keywords:

adsorption bentonite density functional theory erythromycin magnetization response surface methodology

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Area of Science:

Environmental Chemistry
Materials Science
Nanotechnology

Background:

Erythromycin (ERY) is a persistent environmental pollutant due to low degradability.
Accumulation of ERY in wastewater and soil poses ecological risks.

Purpose of the Study:

To develop a novel magnetic adsorbent for enhanced ERY removal.
To optimize adsorption conditions and understand the adsorption mechanism.

Main Methods:

Synthesis of magnetically modified bentonite using Fe3O4 nanoparticles.
Adsorption experiments and isotherm/kinetic modeling (Dubinin-Radushkevich, pseudo-first-order).
Optimization using Response Surface Methodology (RSM) and molecular-level analysis via DFT.

Main Results:

Magnetically modified bentonite showed increased surface area and optimal adsorption at pH 11.
RSM identified optimal conditions: 41.9 mg adsorbent, 29.1 °C, 9.6 h, achieving 96.2% ERY removal.
DFT analysis confirmed strong interactions between ERY, Fe3O4, and bentonite, validating the adsorption mechanism.

Conclusions:

Magnetically modified bentonite is a highly effective adsorbent for ERY removal.
The study provides a promising, efficient method for mitigating antibiotic contamination in aqueous environments.