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

This project gives detailed guidance on evaluating and modeling nanomaterial‑based methods for cleaning emerging contaminants (ECs) in water, soil, and air. Instead of staying at the lab‑scale, it builds a step‑by‑step framework for looking at full‑scale use on tough pollutants such as pharmaceuticals, PFAS, pesticides, and microplastics. The approach mixes tests in real‑world water mixtures with solid mathematical and computer models of transport. It uses Langmuir‑Hinshelwood surface kinetics, Weber‑Morris intra‑particle diffusion, the Thomas breakthrough column model, and advection‑dispersion‑reaction (ADR) transport equations to simulate how contaminants move and how efficiently they are removed. Thermodynamic calculations show good adsorption, with Gibbs free‑energy values between about –1600 J/mol and –2150 J/mol over a

temperature range of 270 K to 370 K. The study also examines synergistic interface effects in multi‑component nanocomposites, which raise effective rate constants up to 0.75. Overall, the work provides M.Tech students with a clear research path to model, simulate, and improve sustainable nanotechnology‑driven environmental remediation systems.

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