Chemometrically-aided general approach to novel adsorbents studies: Case study on the adsorption of pharmaceuticals by the carbonized leaves.

A chemometrically based approach was applied to select the most efficient drug adsorbent among the biochars obtained from the novel feedstock, the leaves of the invasive plant (). The representative target adsorbates (atenolol, paracetamol, ketorolac and tetracycline) were selected on the basis of their physicochemical properties to cover a wide chemical space, which is the usual analytical challenge. Their adsorption was investigated using design of experiments as a comprehensive approach to optimise the performance of the adsorption system, rationalise the procedure and overcome common drawbacks. Among the response surface designs, the central composite design was selected as it allows the identification of important experimental factors (solid-to-liquid ratio, pH, ionic strength) and their interactions, and allows the selection of optimal experimental conditions to maximise adsorption performance. The biochars were prepared by pyrolysis at 500 °C and 800 °C (BC-500 and BC-800) and the ZnCl-activated biochars were prepared at 650 °C and 800 °C (AcBC-650 and AcBC-800). The FTIR spectra revealed that increasing the pyrolysis temperature without activator decreases the intensity of all bands, while activation preserves functional groups, as evidenced by the spectra of AcBC-650 and AcBC-800. High temperatures during activation promoted the development of an efficient surface area, with the maximum observed for AcBC-800 reaching 347 m g. AcBC-800 was found to be the most efficient adsorbent with removal efficiencies of 34.1, 51.3, 55.9 and 38.2 % for atenolol, paracetamol, ketorolac and tetracycline, respectively. The models describing the relationship between the removal efficiency of AcBC-800 and the experimental factors studied, showed satisfactory predictive ability (predicted R > 0.8) and no significant lack-of-fit was observed. The results obtained, including the mathematical models, the properties of the adsorbates and the adsorbents, clearly indicate that the adsorption mechanisms of activated biochars are mainly based on hydrophobic interactions, pore filling and hydrogen bonding.