Adsorption of 4‑<i>n</i>‑Nonylphenol and Bisphenol‑A on Magnetic Reduced Graphene Oxides: A Combined Experimental and Theoretical Studies

Adsorption of 4-<i>n</i>-nonylphenol (4-<i>n</i>-NP) and bisphenol A (BPA) on magnetic reduced graphene oxides (rGOs) as a function of contact time, pH, ionic strength and humic acid were investigated by batch techniques. Adsorption of 4-<i>n</i>-NP and BPA were independent of pH at 3.0- 8.0, whereas the slightly decreased adsorption was observed at pH 8.0–11.0. Adsorption kinetics and isotherms of 4-<i>n</i>-NP and BPA on magnetic rGOs can be satisfactorily fitted by pseudo-second-order kinetic and Freundlich model, respectively. The maximum adsorption capacities of magnetic rGOs at pH 6.5 and 293 K were 63.96 and 48.74 mg/g for 4-<i>n</i>-NP and BPA, respectively, which were significantly higher than that of activated carbon. Based on theoretical calculations, the higher adsorption energy of rGOs + 4-<i>n</i>-NP was mainly due to π–π stacking and flexible long alkyl chain of 4-<i>n</i>-NP, whereas adsorption of BPA on rGOs was energetically favored by a lying-down configuration due to π–π stacking and dispersion forces, which was further demonstrated by FTIR analysis. These findings indicate that magnetic rGOs is a promising adsorbent for the efficient elimination of 4-<i>n</i>-NP/BPA from aqueous solutions due to its excellent adsorption performance and simple magnetic separation, which are of great significance for the remediation of endocrine-disrupting chemicals in environmental cleanup