Adsorption behavior of engineered carbons and carbon nanomaterials for metal endocrine disruptors: Experiments and theoretical calculation

被引：161

作者：

Zhang, Chen ^{[1
,2
]}

Wang, Wenjun ^{[1
,2
]}

Duan, Abing ^{[1
,2
]}

Zeng, Guangming ^{[1
,2
]}

Huang, Danlian ^{[1
,2
]}

Lai, Cui ^{[1
,2
]}

Tan, Xiaofei ^{[1
,2
]}

Cheng, Min ^{[1
,2
]}

Wang, Rongzhong ^{[1
,2
]}

Zhou, Chengyun ^{[1
,2
]}

Xiong, Weiping ^{[1
,2
]}

Yang, Yang ^{[1
,2
]}

机构：

[1] Hunan Univ, Coll Environm Sci & Engn, Changsha 410082, Hunan, Peoples R China

[2] Hunan Univ, Minist Educ, Key Lab Environm Biol & Pollut Control, Changsha 410082, Hunan, Peoples R China

来源：

CHEMOSPHERE | 2019年 / 222卷

基金：

中国国家自然科学基金;

关键词：

Carbonaceous materials; Metal endocrine disruptors; Adsorption; Density functional theory; AQUEOUS-SOLUTION; HEAVY-METALS; GRAPHENE OXIDE; WASTE-WATER; PHANEROCHAETE-CHRYSOSPORIUM; TETRACYCLINE ANTIBIOTICS; DENSITY FUNCTIONALS; MICROBIAL COMMUNITY; NANOPOROUS GOLD; RIVER SEDIMENTS;

D O I：

10.1016/j.chemosphere.2019.01.128

中图分类号：

X [环境科学、安全科学];

学科分类号：

08 ; 0830 ;

摘要：

Adsorption behaviors and mechanisms of metal endocrine disruptors (Pb2+, Cd2+, and Hg2+) by pyrogenic carbonaceous materials including engineered carbons (biochar and activated carbon) and carbon nanomaterials (multi-walled carbon nanotubes and graphene oxide) have been investigated by experimental and density functional theory (DFT) studies. The adsorption isotherms of metal endocrine disruptors on carbonaceous materials were better fitted by Langmuir models. The adsorption capacities were in the order as follows: GO > BC600 > BC300 > CNT > AC for Pb2+, GO > BC300 > AC > BC600 > CNT for Cd2+, and GO > BC300 >= AC > CNT > BC600 for Hg2+, respectively. The OFT-computed binding energy (kcal/mol) of different oxygen-containing functional groups with metal endocrine disruptors followed the orders: (i) CM-COC-Pb (-136.70) > CM-OOO- -Pb (-91.58) > CM-CO-Pb (-33.57) > CM-OH-Pb (-4.69), (ii) CM-COO- -Cd (-45.91) > CM-COC-Cd (-4.49) > CM-OH-Cd (-3.68) > CM-CO-Cd (1.08), (iii) CM-OOO- -Hg (-25.51) > CM-COC-Hg (-3.58) > CM-OH-Hg (-0.63) > CM-CO-Hg (0.23). And -COC- has the highest binding energy for Pb2+, whereas -COC- has much lower binding energy for Cd2+ and Hg2+. Comprehensively considering OFT calculations, competitive adsorption results and the cost analysis, this work may provide insights into the design of selective adsorbent for specific contaminant. (C) 2019 Elsevier Ltd. All rights reserved.

引用

页码：184 / 194

页数：11

共 69 条

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