Pharmaceutically active compounds removal from aqueous solutions by MIL-101(Cr)-NH < sub > 2 < /sub > : A molecular dynamics study

This study investigates the potential of MIL-101(Cr)-NH2 as a preferable and more effective adsorbent for the adsorption and removal of pharmaceutically active compounds from aqueous solutions. By utilizing its large porosity, high specific surface area, and high stability, the structural and transport properties of three pharmaceutically active compounds naproxen (NAP), diclofenac (DIC) and sulfamethoxazole (SMX)) studied using molecular dynamics simulation. The results indicate that the MIL-101(Cr)-NH2 adsorbent is suitable for removing drug molecules from aqueous solutions, with maximum adsorption capacities of 697.75 mg/g for naproxen, 704.99 mg/g for diclofenac, and 725.51 mg/g for sulfamethoxazole.PMID:38701652 | DOI:10.1016/j.ecoenv.2024.116333
Source: Ecotoxicology and Environmental Safety - Category: Environmental Health Authors: Source Type: research