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Nanomaterial-based remediation of emerging contaminants: Performance, modeling, and environmental sustainability

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This review summarizes research on using nanomaterials to remove pollutants, including pharmaceuticals, PFAS, and micro and nanoplastics, from water, soil, and air. It combines lab tests with mathematical models to describe how these materials bind and break down contaminants, reporting favorable reaction conditions and improved performance when multiple nanomaterials are combined.

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Ecosystem destabilization and human health due to emerging contaminants (ECs) such as pharmaceuticals, personal care products, endocrine disruptors, PFAS, pesticides, antibiotics, and micro & nanoplastics are among the most urgent problems. This research proposes an extensive technical review considering nanomaterial-based technologies in pollution removal for water, soil, and air media, moving the emphasis from laboratory-scale proof-of-concept experiments to applied industrial technology solutions. Scientific methodology involves the combination of multi-component "real water" matrix tests with state-of-the-art numerical and mathematical models (Langmuir-Hinshelwood surface kinetics, Weber-Morris intra-particle diffusion, Thomas breakthrough column model, and Advection-Dispersion-Reaction (ADR) transport equations). Quantitative analysis shows that pollutant adsorption process is thermodynamically favorable, having negative Gibbs free energy (∆G 0 ) values varying from approximately ‐1600 J/mol −1600 J/mol to ‐2150 J/mol with the rise of temperature from 270 K to 370 K. Reaction rate constants reach the value of 200 based on the temperature dependencies of Arrhenius equation, whereas multi-component nanocomposites show synergistically scaled up rate constants (k eff ) up to 0.75 depending on interface synergy (S int ) effects. The novelty of this research is in the creation of a strong mathematical model that connects the synthesis of materials to environmental engineering and provides guidelines on designing energy-efficient nanotechnologies for cleaning the water, soil, and air around the world.

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