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Characterization of Ibuprofen Removal by Calcined Spherical Hydrochar Through Adsorption Experiments, Molecular Modeling, and Artificial Neural Network Predictions by Suk-Hyun Yoo; Seung-Chan Lee; Ho-Young Jang; Song-Bae Kim is a Environmental Science article available to read on EtoBox.

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Ibuprofen (IPF) is one of the most prescribed nonsteroidal anti-inflammatory drugs in recent times, but it is not readily removed in conventional wastewater treatments. Here, we investigate the adsorption characteristics of IPF onto calcined spherical hydrochar (CSH), which was synthesized through hydrothermal carbonization of sucrose followed by calcination. The adsorption experiments show that the equilibration time for IPF was 360 min, and a pseudo-second-order model was best fitted to the kinetic data. The isotherm data were best described by the Liu model with a theoretical maximum adsorption capacity of 95.6 mg/g. The thermodynamic data indicate the endothermic nature of the adsorption at 10–40 °C. The CSH was favorably regenerated and reused using methanol. In pH experiments, the IPF adsorption capacity declined gradually as pH rose from 2 to 8, dropped rapidly at pH 10, and became negligible at pH 12. The IPF adsorption to the CSH could occur through various adsorption mechanisms. Hydrogen-bond formation, π-π interactions, n-π* interactions, and electrostatic repulsion were explored and visualized with molecular modeling using CHEM3D. The Raman, FTIR, and XPS spectra sugges

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Author

Suk-Hyun Yoo; Seung-Chan Lee; Ho-Young Jang; Song-Bae Kim

Publisher

Elsevier BV

Published

2023

Language

EN

Field

Environmental Science (Physical Sciences)