Abstract
Since antibiotic overuse created various environmental issues, antibiotic management and separation are critical in ecological research. In this regard, the main objective of this work was to design a simple and reliable solvothermal-synthesis-based sorbent for removing antibiotics such as doxycycline (DOX). The used sorbent was Zn/Ce-layered double hydroxide (Zn/Ce-LDH), and its layered structure was confirmed by the X-ray diffraction (XRD), field emission scanning electron microscopy (SEM), transmission electron microscopy (TEM) analysis. In addition, the Brunauer-Emmett-Teller (BET) test showed the specific surface area of the Zn/Ce-LDH achieved 45.17 m2 g−1. The sorbent was shown to have a high capability to remove DOX (the maximum experimental adsorption capacity of 1297 mg g−1) at the low equilibrium contact time of 15 min. Also, the obtained negative value of Gibbs free energy (ΔG°), the enthalpy (ΔH°), and the entropy (ΔS°) at the investigated temperatures reveal the fact that the involved adsorption process had spontaneous and exothermic features. Besides, the pseudo-second-order kinetic model favourably described DOX adsorption on the Zn/Ce LDH surface. Furthermore, a combination of classical molecular dynamics and Monte Carlo simulations were utilized to investigate the adsorption properties of DOX on the (001) and (010) Zn/Ce-LDH surfaces. The theoretical findings supported the possibility of DOX coordination with Zn/Ce atoms.
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