Quantitative structure property relationships for the adsorption of pharmaceuticals onto activated carbon

摘要

Isotherms were determined for the adsorption of five pharmaceutical residues, primidone,ncarbamazepine, ibuprofen, naproxen and diclofenac, to Calgon Filtrasorb 300 powdered activatedncarbon (PAC). The sorption behavior was examined in ultra-pure and wastewater effluent organicnmatter (EfOM) matrices, where more sorption was observed in the ultra-pure water for PACndoses greater than 10mg/L suggesting the presence of EfOM hinders the sorption of thenpharmaceuticals to the PAC. Adsorption behaviors were described by the Freundlich isothermnmodel. Quantitative structure property relationships (QSPRs) in the form of polyparameter linearnsolvation energy relationships were developed for simulating the Freundlich adsorption capacitynin both ultra-pure and EfOM matrices. The significant 3D-based descriptors for the QSPRsnwere the molar volume, polarizability and hydrogen-bond donor parameters.