Adsorption of phenanthrene from aqueous solutions by biochar derived from an ammoniation-hydrothermal method.

Wang, X; Guo, Z; Hu, Z; Ngo, H; Liang, S; Zhang, J

Adsorption of phenanthrene from aqueous solutions by biochar derived from an ammoniation-hydrothermal method.

Wang, X Guo, Z Hu, Z Ngo, H

Liang, S Zhang, J

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Publisher:: Elsevier BV
Publication Type:: Journal Article
Citation:: The Science of the total environment, 2020, 733, pp. 139267
Issue Date:: 2020-09

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Field	Value	Language
dc.contributor.author	Wang, X
dc.contributor.author	Guo, Z
dc.contributor.author	Hu, Z
dc.contributor.author	Ngo, H https://orcid.org/0000-0002-0296-2866
dc.contributor.author	Liang, S
dc.contributor.author	Zhang, J
dc.date.accessioned	2020-07-24T08:07:06Z
dc.date.available	2020-05-05
dc.date.available	2020-07-24T08:07:06Z
dc.date.issued	2020-09
dc.identifier.citation	The Science of the total environment, 2020, 733, pp. 139267
dc.identifier.issn	1879-1026
dc.identifier.issn	1879-1026
dc.identifier.uri	http://hdl.handle.net/10453/141860
dc.description.abstract	An innovative ammoniation-hydrothermal method of biochar production was developed for the adsorption of phenanthrene (PHE) from aqueous solutions in this paper. Phragmites australis (PA) was used to produce biochar in a hydrothermal kettle at 280 °C in muffle furnace using urea as an ammoniation reagent. Characterizations were executed by scanning electron microscope (SEM), N2 adsorption/desorption isotherms, X-ray diffraction (XRD), elemental analysis, X-ray photoelectron spectroscopy (XPS) and Fourier transform infrared spectroscopy (FT-IR) to explore its morphological, physical, and chemical properties. Batch experiments of PHE adsorption were carried out to study the adsorption isotherms and kinetics. Quantum chemistry computational simulations were employed based on density functional theory (DFT) to establish and optimize adsorption configurations and analyze the biochar's structural effects on adsorption performance. Results showed that the ammoniation-hydrothermal method produced biochar with a higher surface area and a maximum equilibrium adsorption capacity of 1.97 mg/g. The adsorption fitted well with Freundlich isotherm model (R2 > 0.96) and Pseudo-second-order kinetic model (R2 > 0.82). Adsorption energy calculation revealed that the N functionalities, especially pyridine N in the N-doped biochar structure, exhibited stronger binding ability with PHE, which contributed most to the favorable adsorption ability of the ammoniation-hydrothermal biochar.
dc.format	Print-Electronic
dc.language	eng
dc.publisher	Elsevier BV
dc.relation.ispartof	The Science of the total environment
dc.relation.isbasedon	10.1016/j.scitotenv.2020.139267
dc.rights	info:eu-repo/semantics/embargoedAccess
dc.subject.classification	Environmental Sciences
dc.subject.mesh	Adsorption
dc.subject.mesh	Charcoal
dc.subject.mesh	Kinetics
dc.subject.mesh	Phenanthrenes
dc.subject.mesh	Solutions
dc.subject.mesh	Spectroscopy, Fourier Transform Infrared
dc.subject.mesh	Water Pollutants, Chemical
dc.title	Adsorption of phenanthrene from aqueous solutions by biochar derived from an ammoniation-hydrothermal method.
dc.type	Journal Article
utslib.citation.volume	733
utslib.location.activity	Netherlands
pubs.organisational-group	/University of Technology Sydney/Faculty of Engineering and Information Technology
pubs.organisational-group	/University of Technology Sydney/Strength - CTWW - Centre for Technology in Water and Wastewater Treatment
pubs.organisational-group	/University of Technology Sydney/Faculty of Engineering and Information Technology/School of Civil and Environmental Engineering
pubs.organisational-group	/University of Technology Sydney
utslib.copyright.status	open_access	*
utslib.copyright.embargo	2022-09-01T00:00:00+1000Z
dc.date.updated	2020-07-24T08:07:01Z
pubs.publication-status	Accepted
pubs.volume	733

Abstract:

An innovative ammoniation-hydrothermal method of biochar production was developed for the adsorption of phenanthrene (PHE) from aqueous solutions in this paper. Phragmites australis (PA) was used to produce biochar in a hydrothermal kettle at 280 °C in muffle furnace using urea as an ammoniation reagent. Characterizations were executed by scanning electron microscope (SEM), N2 adsorption/desorption isotherms, X-ray diffraction (XRD), elemental analysis, X-ray photoelectron spectroscopy (XPS) and Fourier transform infrared spectroscopy (FT-IR) to explore its morphological, physical, and chemical properties. Batch experiments of PHE adsorption were carried out to study the adsorption isotherms and kinetics. Quantum chemistry computational simulations were employed based on density functional theory (DFT) to establish and optimize adsorption configurations and analyze the biochar's structural effects on adsorption performance. Results showed that the ammoniation-hydrothermal method produced biochar with a higher surface area and a maximum equilibrium adsorption capacity of 1.97 mg/g. The adsorption fitted well with Freundlich isotherm model (R2 > 0.96) and Pseudo-second-order kinetic model (R2 > 0.82). Adsorption energy calculation revealed that the N functionalities, especially pyridine N in the N-doped biochar structure, exhibited stronger binding ability with PHE, which contributed most to the favorable adsorption ability of the ammoniation-hydrothermal biochar.

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http://hdl.handle.net/10453/141860