Kinetics and reaction pathways for the transformation of 4-tert-butylphenol by ferrate(VI)

Qing Zheng; Nannan Wu; Ruijuan Qu; Gadah Albasher; Wanming Cao; Beibei Li; Nouf Alsultan; Zunyao Wang

doi:10.1016/j.jhazmat.2020.123405

Kinetics and reaction pathways for the transformation of 4-tert-butylphenol by ferrate(VI)

J Hazard Mater. 2021 Jan 5:401:123405. doi: 10.1016/j.jhazmat.2020.123405. Epub 2020 Jul 6.

Authors

Qing Zheng¹, Nannan Wu², Ruijuan Qu³, Gadah Albasher⁴, Wanming Cao², Beibei Li², Nouf Alsultan⁴, Zunyao Wang²

Affiliations

¹ School of Marine and Biological Engineering, Yancheng Institute of Technology, Yancheng 224003, PR China.
² State Key Laboratory of Pollution Control and Resources Reuse, School of Environment, Nanjing University, Jiangsu Nanjing 210023, PR China.
³ State Key Laboratory of Pollution Control and Resources Reuse, School of Environment, Nanjing University, Jiangsu Nanjing 210023, PR China. Electronic address: quruijuan0404@nju.edu.cn.
⁴ King Saud University, College of Science, Zoology Department, P.O. Box 2455, 10, Riyadh 11451, Saudi Arabia.

PMID: 32659589
DOI: 10.1016/j.jhazmat.2020.123405

Abstract

4-tert-butylphenol (4-tBP) is a phenolic endocrine disrupting chemical that has attracted great attention due to its wide occurrence, environmental persistence, and possible toxic effects. In this study, we systematically investigated the transformation of 4-tBP in ferrate (VI) oxidation process. The second-order reaction rate constant (k_app) of Fe(VI) with 4-tBP decreases with solution pH, and the k_app value was determined as 295 M^-1·s^-1 at pH 8.0. The removal efficiency of 4-tBP was slightly decreased by Mg²⁺ and HCO₃^-, while accelerated at varying degrees by the presence of Cu²⁺ and humic acid. Product analysis revealed that 4-tBP was mainly transformed into hydroxylation products, benzene-ring cleavage products, dimers and higher polymerization products via oxygen atom transfer, ring-opening of the benzene ring and radical coupling reaction. Furthermore, initial reactions of 4-tBP were rationalized by theoretical analysis of atom partial charges, frontier electron densities, and spin densities. Nearly complete removal of 4-tBP (20 μM) was achieved after 5 min of reaction in both ultrapure water and natural waters, demonstrating the feasibility of this Fe(VI) oxidation method in treating phenols-contaminated waters.

Keywords: 4-Tert-butylphenol; Ferrate(VI); Kinetics; Reaction products; Theoretical analysis.

Publication types

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