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Enhanced metal ion adsorption using ZnO-MXene nanocomposites with machine learning-based performance prediction
Abhishek Kagalkar1, Swapnil Dharaskar2, Nitin Chaudhari3
1Department of Chemical Engineering, School of Energy Technology, Pandit Deendayal Energy University, Gandhinagar, Gujarat, 382426, India.
Scientific Reports
|May 4, 2025
Summary
ZnO-MXene nanocomposites effectively remove heavy metals from wastewater, achieving over 90% removal for chromium, cadmium, lead, and arsenic. This study highlights their potential as a sustainable and cost-effective solution for water purification.
Area of Science:
- Materials Science
- Environmental Science
- Nanotechnology
Background:
- Wastewater contamination by toxic metal ions poses a significant environmental and health risk.
- Developing efficient and cost-effective adsorbents is crucial for sustainable wastewater treatment.
Purpose of the Study:
- To investigate the efficacy of ZnO-MXene nanocomposites for removing heavy metal ions from wastewater.
- To explore the adsorption mechanisms and kinetics of these nanocomposites.
- To evaluate the predictive capabilities of machine learning models in adsorption performance.
Main Methods:
- ZnO-MXene nanocomposites were synthesized using a two-step chemical method.
- Adsorption studies were conducted to determine removal efficiencies for Cr, Cd, Pb, and As.
- Isotherm, kinetic, and thermodynamic analyses were performed to understand adsorption behavior.
- Machine learning models (Random Forest and Support Vector Machine) were employed to predict adsorption performance.
Main Results:
- High removal efficiencies were achieved: 97% for chromium, 91% for cadmium, 97% for lead, and 96% for arsenic.
- Adsorption followed a pseudo-second-order kinetic model and best fitted the Freundlich isotherm model, indicating heterogeneous adsorption.
- Thermodynamic studies confirmed the spontaneity and chemisorption-dominated mechanism.
- Random Forest model demonstrated high accuracy in predicting adsorption performance.
Conclusions:
- ZnO-MXene nanocomposites are highly effective, promising, and affordable nano-adsorbents for removing toxic metal ions.
- The combined experimental and predictive modeling approach provides valuable insights into adsorption mechanisms for sustainable wastewater treatment.
- The synthesized nanocomposites meet World Health Organization (WHO) water quality standards.
