Synthesis and characterization of novel magnetic metal organic framework for efficient removal of ketoprofen from aqueous solutions: Mechanism of interaction, adsorption and optimization via BOX-Behnken design

This investigation examines the adsorption and elimination of the anti-inflammatory medication ketoprofen (KTP) in relation to a newly developed magnetic thorium metal-organic framework (MTh-MOF). The study found that KTP absorption on MTh-MOF resulted in a reduction in pore volume, pore size, and surface area, as revealed by N-2 adsorption/desorption isotherm analysis used to evaluate the characteristics of the MTh-MOF. Scanning electron microscopy (SEM) showed that the pore radius of MTh-MOF decreased from 1.68 nm to 0.82 nm, demonstrating a consistent and uniform structure. Fourier-transform infrared (FT-IR) spectroscopy was employed to identify the functional groups present in MTh-MOF, while X-ray photoelectron spectroscopy (XPS) was used to confirm the compound's structure. The optimal conditions for achieving a high adsorption capacity were found to be at pH 6 and a MTh-MOF dose of 0.02 g. The results indicated that MTh-MOF displayed a high capacity for absorbing KTP, with the adsorption data fitting well with pseudo-second-order kinetic models and the Langmuir isotherm. The adsorption capacity of MTh-MOF for KTP was determined to be 518 mg/g. The adsorption energy of 28.26 kJ mol(-1) suggested that chemisorption was the predominant mode of adsorption. The process of KTP adsorption on MTh-MOF was observed to be spontaneous, endothermic, and random, as evidenced by the temperature-dependent increases in the thermodynamic parameters (Delta G(o), Delta H-o, and Delta S-o). The adsorption process was optimized using Response Surface Methodology and Box-Behnken design (RSM, BBD). Aromatic rings interact via pi-pi bonding, while chemisorption involves the development of chemical interactions between the adsorbate and adsorbent. Additionally, electrostatic interactions arise from the attraction or repulsion of charges between the adsorbate and adsorbent, and pore-filling occurs when the adsorbate fills the adsorbent's pores. In order to understand the electrical properties, reactivity, and shape of KTP, density functional theory (DFT) was utilized.