Adsorption mechanism of polycyclic aromatic hydrocarbons using wood waste-derived biochar

Xinxing Zhou; Liang Shi; Taher Baghaee Moghaddam; Meizhu Chen; Shaopeng Wu; Xiangzhou Yuan

doi:10.1016/j.jhazmat.2021.128003

Adsorption mechanism of polycyclic aromatic hydrocarbons using wood waste-derived biochar

J Hazard Mater. 2022 Mar 5:425:128003. doi: 10.1016/j.jhazmat.2021.128003. Epub 2021 Dec 6.

Authors

Xinxing Zhou¹, Liang Shi², Taher Baghaee Moghaddam³, Meizhu Chen⁴, Shaopeng Wu⁵, Xiangzhou Yuan⁶

Affiliations

¹ State Key Laboratory of Silicate Materials for Architectures, Wuhan University of Technology, Wuhan 430070, China; Key Laboratory of Highway Construction and Maintenance Technology in Loess Region of Ministry of Transport, Shanxi Transportation Technology Research & Development Co., Ltd, Taiyuan 030032, China. Electronic address: zxx09432338@whut.edu.cn.
² College of Life Science, Nanjing Agricultural University, Nanjing 210095, China. Electronic address: shil@njau.edu.cn.
³ Department of Civil and Environmental Engineering, Faculty of Engineering, University of Waterloo, Ontario N2L 3G1, Canada. Electronic address: tbaghaeemoghaddam@uwaterloo.ca.
⁴ State Key Laboratory of Silicate Materials for Architectures, Wuhan University of Technology, Wuhan 430070, China. Electronic address: chenmzh@whut.edu.cn.
⁵ State Key Laboratory of Silicate Materials for Architectures, Wuhan University of Technology, Wuhan 430070, China. Electronic address: wusp@whut.edu.cn.
⁶ Korea Biochar Research Center, APRU Sustainable Waste Management Program & Division of Environmental Science and Ecological Engineering, Korea University, Seoul 02841, Republic of Korea; R&D Centre, Sun Brand Industrial Inc., Jeollanam-do 57248, Republic of Korea. Electronic address: yuan0125@korea.ac.kr.

PMID: 34896716
DOI: 10.1016/j.jhazmat.2021.128003

Abstract

The polycyclic aromatic hydrocarbons (PAHs) have been attracted increasing attentions due to their carcinogenicity and teratogenicity. Adsorption is widely considered one of the most potential technologies for PAHs removal. In this study, we prepared two kinds of oxygen-rich biochar derived from waste wood to investigate the PAHs adsorption performance, and the molecular simulation was used to build the 16 priority PAHs, 23 nitrated PAHs, 9 oxygenated PAHs adsorption model. The surface adsorption performance of oxygen-rich biochar significantly depends on the pyrolysis conditions. The main out-comings demonstrated that the adsorption of naphthalene (C₁₀H₈) molecules first occurred, and the optimal adsorption positions of oxygen-rich biochar strongly adhered to functional groups of carboxyl and hydroxyl. Moreover, benzene ring, -COOH, and -CH₃ of biochar were the main adsorbed functional groups for PAHs adsorption. The oxygen-rich biochar had the targeted-adsorption effect on PAHs removal especially symmetrical PAHs, and the targeted-adsorption mechanism was finally proposed. The research is beneficial to guide the removal of PAHs from polluted water and mitigate the environmental pollution caused by biomass waste mismanagement, simultaneously.

Keywords: Carbon materials; Functional groups; Molecular simulation; Sustainable waste management; Targeted-adsorption mechanism.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Adsorption
Charcoal
Polycyclic Aromatic Hydrocarbons*
Wood

Substances

Polycyclic Aromatic Hydrocarbons
biochar
Charcoal