Analysis of 17 alpha-ethinylestradiol and bisphenol A adsorption on anthracite surfaces by site energy distribution

doi:10.1016/j.chemosphere.2018.10.136

	Analysis of 17 alpha-ethinylestradiol and bisphenol A adsorption on anthracite surfaces by site energy distribution
	He, Jing 1,2; Guo, Jinsong 1,2; Zhou, Qiuhong 1,2; Yang, Jixiang3 ; Fang, Fang 1,2; Huang, Yang 4
刊名	CHEMOSPHERE
	2019-02-01
卷号	216 页码:59-68
关键词	17 alpha-Ethinylestradiol Bisphenol A Adsorption Heterogeneous surfaces Site energy distribution theory Mechanism
ISSN号	0045-6535
DOI	10.1016/j.chemosphere.2018.10.136
通讯作者	Guo, Jinsong(guo0768@cqu.edu.cn)
英文摘要	17 alpha-Ethinylestradiol (EE2) and bisphenol A (BPA) are highly toxic and widely detected endocrine disrupting compounds (EDCs) throughout the world in surface waters. Adsorption is an effective way to remove EE2 and BPA from water. However, it is difficult to clearly explain the mechanism of adsorption theoretically only through classic adsorption models. In order to insight into the adsorption of EE2 and BPA, site energy distribution (SED) theory was introduced to investigate the adsorption of EE2 and BPA on heterogeneous surfaces. EE2 and BPA were adsorbed on un-anthracite (unmodified anthracite) and 4K anthracite (4 mol L-1 KOH-modified anthracite) in single- and bi-component systems under various temperatures and pHs. The results suggested that EE2 and BPA molecules first occupied the high-energy adsorption sites and then spread to low-energy adsorption sites. There were more high-energy sites on 4K anthracite, resulting in a higher adsorption capability for EE2 and BPA. Besides, increasing temperature and acidic environment were conducive to the EE2 and BPA adsorption. SED analyses indicated that, in neutral solutions, pi-pi electron donor-acceptor (EDA) interaction might be the primary mechanism for BPA adsorption, while ligand exchange, hydrogen bonds, and pi-pi EDA interaction might simultaneously work in the adsorption of EE2. it was possible that EE2 molecule was near perpendicular to surface, while BPA molecule was parallel to surface, resulting in the higher adsorption capacities of EE2. However, compared with EE2, BPA had outstanding competitive advantages in bi-component system because of the stronger pi-pi EDA interaction between BPA and anthracite. (C) 2018 Elsevier Ltd. All rights reserved.
资助项目	National Science and Technology Supporting Program of China[2015BAL04B05]
WOS研究方向	Environmental Sciences & Ecology
语种	英语
出版者	PERGAMON-ELSEVIER SCIENCE LTD
WOS记录号	WOS:000451494600007
内容类型	期刊论文
源URL	[http://119.78.100.138/handle/2HOD01W0/7072]
专题	中国科学院重庆绿色智能技术研究院
通讯作者	Guo, Jinsong
作者单位	1.Chongqing Univ, Minist Educ, Key Lab Three Gorges Reservoir Reg Ecoenvironm, Chongqing 400045, Peoples R China 2.Chongqing Univ, Fac Urban Construct & Environm Engn, Chongqing 400045, Peoples R China 3.Chinese Acad Sci, Chongqing Inst Green & Intelligent Technol, Chongqing 400714, Peoples R China 4.Chengdu Univ Informat Technol, Coll Resources & Environm, Chengdu 610225, Sichuan, Peoples R China
推荐引用方式 GB/T 7714	He, Jing,Guo, Jinsong,Zhou, Qiuhong,et al. Analysis of 17 alpha-ethinylestradiol and bisphenol A adsorption on anthracite surfaces by site energy distribution[J]. CHEMOSPHERE,2019,216:59-68.
APA	He, Jing,Guo, Jinsong,Zhou, Qiuhong,Yang, Jixiang,Fang, Fang,&Huang, Yang.(2019).Analysis of 17 alpha-ethinylestradiol and bisphenol A adsorption on anthracite surfaces by site energy distribution.CHEMOSPHERE,216,59-68.
MLA	He, Jing,et al."Analysis of 17 alpha-ethinylestradiol and bisphenol A adsorption on anthracite surfaces by site energy distribution".CHEMOSPHERE 216(2019):59-68.