Combined Neutron and X-Ray Diffraction Study of Ibuprofen and Atenolol Adsorption in Zeolite Y.

ABSTRACT: The widespread occurrence of pharmaceutical residues in aquatic environments necessitates the development of advanced porous materials for efficient remediation. This study investigates the adsorption mechanisms of ibuprofen and atenolol within the high-silica zeolite Y. Batch adsorption experiments demonstrated significant uptake, with loading capacities of 191.6 mg/g for ibuprofen and 273.0 mg/g for atenolol, confirming the material's effectiveness. Using a combination of neutron and X-ray powder diffraction, complemented by Rietveld refinement and simulated annealing algorithms, we achieved the exact localization of the guest molecules. While the pristine zeolite maintains cubic symmetry Fd3¯, the incorporation of pharmaceutical molecules induces significant residual nuclear density and

SUBMITTER: Martucci A 

PROVIDER: S-EPMC12844287 | biostudies-literature | 2026 Jan

REPOSITORIES: biostudies-literature