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

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.