Highly-efficient Pb2+ removal from water by novel K2W4O13 nanowires: Performance, mechanisms and DFT calculation

Huang，Qi Su1; Wu，Wei1; Wei，Wei1; Song，Lan3,4; Sun，Jing1,2; Ni，Bing Jie1,2

2020-02-01

10.1016/j.cej.2019.122632

CHEMICAL ENGINEERING JOURNAL   影响因子和分区

1385-8947

1873-3212

As one of the most toxic heavy metals, lead ions (Pb) contamination arouses increasing public concern for high carcinogenicity and neurotoxicity. In this study, a modified hydrothermal method was designed to fabricate novel hexagonal KWO nanowires to achieve highly-efficient Pb removal from water. Attractively, the as-prepared KWO exhibited large uptake capacity (228.83 mg/g), fast kinetic (141.67 mg/g in 30 min), superior acid-resistance (75% of removal at pH = 2) and excellent reusability (over 95% of removal after 5 runs) toward Pb adsorption. The Langmuir isotherm and pseudo-second-order kinetic model gave a better fit to the adsorption experimental data. The Pb adsorption process on KWO was revealed to be a spontaneous, exothermic, film diffusion limited chemisorption reaction. The mechanism studied elucidated that both ion-exchange and complexation were involved in Pb adsorption, with each accounting for approximate 50% of Pb elimination. Through density functional theory (DFT) calculation, the equatorial oxygen was found to be more accessible for Pb attachment than the axial corner oxygen from [WO] octahedra. Electron pairs from the adjacent O atoms would transfer to the empty orbitals of Pb atoms after adsorption, causing the Pb removal via metal-ligand complexation.

Adsorption DFT calculation Hexagonal K2W4O13 nanowires Lead pollution Mechanism

SCI ; EI

英语

其他

National Natural Science Foundation of China[51578391] ; National Natural Science Foundation of China[51608374] ; Recruitment Program of Global Experts[] ; State Key Laboratory of Pollution Control and Resource Reuse[PCRRK18007]

Engineering

Engineering, Environmental ; Engineering, Chemical

WOS:000499066900006

Elsevier B.V.

20193507379931

Acid resistance ; Adsorption ; Density functional theory ; Heavy metals ; Ion exchange ; Isotherms ; Lead compounds ; Mechanisms ; Nanowires ; Oxygen ; Reusability

Water Treatment Techniques:445.1 ; Metallurgy and Metallography:531 ; Mechanisms:601.3 ; Nanotechnology:761 ; Chemical Reactions:802.2 ; Chemical Operations:802.3 ; Chemical Products Generally:804 ; Probability Theory:922.1 ; Solid State Physics:933

ENGINEERING

2-s2.0-85071365614

Scopus

1.State Key Laboratory of Pollution Control and Resources ReuseCollege of Environmental Science and EngineeringTongji University,Shanghai,200092,China
2.Shanghai Institute of Pollution Control and Ecological Security,Shanghai,200092,China
3.School of Environmental Science and EngineeringSouthern University of Science and Technology,Shenzhen,518055,China
4.Shenzhen Institute of Sustainable Development,Shenzhen,518055,China

Huang，Qi Su,Wu，Wei,Wei，Wei,et al. Highly-efficient Pb2+ removal from water by novel K2W4O13 nanowires: Performance, mechanisms and DFT calculation[J]. CHEMICAL ENGINEERING JOURNAL,2020,381.

Huang，Qi Su,Wu，Wei,Wei，Wei,Song，Lan,Sun，Jing,&Ni，Bing Jie.(2020).Highly-efficient Pb2+ removal from water by novel K2W4O13 nanowires: Performance, mechanisms and DFT calculation.CHEMICAL ENGINEERING JOURNAL,381.

Huang，Qi Su,et al."Highly-efficient Pb2+ removal from water by novel K2W4O13 nanowires: Performance, mechanisms and DFT calculation".CHEMICAL ENGINEERING JOURNAL 381(2020).