Eco-friendly zeolite/PMMA thin films for efficient phthalate removal from natural waters: a computational and experimental study†

Phthalates (PTs), originating primarily from plastic pollution, are significant environmental and health hazards due to their persistent presence in natural waters. This study investigates the removal of phthalates from natural waters using eco-friendly natural zeolite/poly(methyl methacrylate) (NZT/PMMA) thin films. Gas chromatography-mass spectrometry (GC-MS) was employed to detect phthalates in ten water samples from the Republic of Serbia, revealing the presence of phthalate contamination. Adsorption experiments using NZT/PMMA films demonstrated exceptional efficiency, achieving 94–100% removal of dibutyl phthalate, benzyl butyl phthalate, diethyl phthalate, and diisobutyl phthalate within 120 min. Material characterization via high-resolution scanning electron microscopy, Raman spectroscopy, and BET analysis confirmed the synergistic adsorption capabilities of NZT and PMMA. Computational studies using density functional theory provided mechanistic insights, correlating molecular electrostatic potential and surface area with adsorption efficiency. The water matrix (ionic strength and humic acid) did not hinder the adsorption of PTs on NZT/PMMA films. The application of Fourier transform infrared spectroscopy (FTIR) provided insight into the potential adsorption mechanism of PTs on NZT/PMMA films. The anti/prooxidant activity of the materials highlights their dual potential for pollutant removal and oxidative degradation. These findings position NZT/PMMA thin films as a promising eco-friendly solution for mitigating PTs pollution, addressing an urgent global environmental challenge.