Abstract

The diverse locations of functional groups on different nitrophenol cause uncertainty concerning the removal efficiency and mechanisms of nitrophenol. Adsorption behavior and mechanisms of nitrophenol pollutants (2-nitrophenol (ONP) and 4-nitrophenol (PNP)) on magnetic ion exchange (MIEX) resin were investigated by a combination method of characterization, DFT calculations, and site energy analysis. The results showed pore filling, hydrophobicity, hydrogen bonding, van der Waals forces, π-π conjugation, ion exchange, and electrostatic attraction were included in the removal mechanisms. Solution pH influenced the adsorption mechanism by inducing electrostatic attraction, hydrogen bonding and ion exchange. DFT calculations found that hydrogen bonding was the dominant action among the removal mechanisms for the nitrophenol existing in the form of a molecular state. But distinguished from the removal of PNP by the interaction of hydrogen bonds (O⋯H-N) between the –NO2 in PNP and the –NH-CO– group in MIEX resin, the ONP was mainly removed by hydrogen bonds (H⋯O-C) between the –OH functional group in ONP and the –COOH functional group in MIEX resin. However, the ionic nitrophenol pollutants were mainly removed through electrostatic attraction and ion exchange. Increasing resin dosage facilitated the removal of nitrophenol. Humic acid demonstrated little effect. Sulfate ions showed the most severe inhibition on the removal of nitrophenol. Equilibrium was achieved after 60 min. The adsorption process was well described using the Sips isotherm. The main rate-limiting step was liquid film diffusion. Site energy analysis found that the affinity of PNP for MIEX resin was higher, and the removal of PNP was more susceptible to temperature compared to ONP. A 1.0 % sodium chloride could effectively regenerate the saturated resin, and the adsorption efficacy did not decrease significantly after four adsorption–desorption cycles. Therefore, MIEX resin has a good potential for the control of nitrophenol in polluted water sources.