Cited Article: Hummer, G. Water conduction through the hydrophobic channel of a carbon nanotube
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Title:
Removal of chromium from aqueous solution by using oxidized multiwalled carbon nanotubes
Authors:
Hu, J; Chen, CL; Zhu, XX; Wang, XK
Author Full Names:
Hu, Jun; Chen, Changlun; Zhu, Xiaoxiang; Wang, Xiangke
Source:
JOURNAL OF HAZARDOUS MATERIALS 162 (2-3): 1542-1550 MAR 15 2009
Language:
English
Document Type:
Article
Author Keywords:
Carbon nanotubes; Chromium; Wastewater; Adsorption
KeyWords Plus:
ACTIVATED CARBON; WASTE-WATER; CR(VI) REMOVAL; ADSORPTION; KINETICS; NANOPARTICLES; PRODUCT
Abstract:
The batch removal of hexavalent chromium (Cr(VI)) from aqueous solution by using oxidized multiwalled carbon nanotubes (MWCNTs) was studied under ambient conditions. The effect of pH, initial concentration of Cr(VI), MWCNT content, contact time and ionic strength on the removal of Cr(VI) was also investigated. The removal was favored at low pH with maximum removal at pH Q. The adsorption kinetics was modeled by first-order reversible kinetics, pseudo-first-order kinetics, pseudo-second-order kinetics, and intraparticle diffusion models, respectively. The rate constants for all these kinetic models were calculated, and the results indicate that pseudo-second-order kinetics model was well suitable to model the kinetic adsorption of Cr(VI). The removal of chromium mainly depends on the occurrence of redox reaction of adsorbed Cr(VI) on the surface of oxidized MWCNTs to the formation of Cr(III), and subsequent the sorption of Cr(III) on MWCNTs appears as the leading mechanism fo!
r chromium uptake to MWCNTs. The presence of Cr(III) and Cr(VI) on oxidized MWCNTs was confirmed by the X-ray photoelectron spectroscopic analysis. The application of Langmuir and Freundlich isotherms are applied to fit the adsorption data of Cr(VI). Equilibrium data were well described by the typical Langmuir adsorption isotherm. Overall, the study demonstrated that MWCNTs can effectively remove Cr(VI) from aqueous solution under a wide range of experimental conditions, without significant Cr(III) release. (C) 2008 Elsevier B.V. All rights reserved,
Reprint Address:
Wang, XK, Chinese Acad Sci, Inst Plasma Phys, POB 1126, Hefei 230031, Peoples R China.
Research Institution addresses:
[Hu, Jun; Chen, Changlun; Wang, Xiangke] Chinese Acad Sci, Inst Plasma Phys, Hefei 230031, Peoples R China; [Zhu, Xiaoxiang] Jiangsu Prov Radiat Environm Monitoring & Managem, Nanjing 210036, Peoples R China
E-mail Address:
xkwang@ipp.ac.cn
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Cited Reference Count:
34
Times Cited:
0
Publisher:
ELSEVIER SCIENCE BV; PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
Subject Category:
Engineering, Environmental; Engineering, Civil; Environmental Sciences
ISSN:
0304-3894
DOI:
10.1016/j.jhazmat.2008.06.058
IDS Number:
407MY
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Title:
Effect of Salt on the Dynamics of Aqueous Solution of Hydrophobic Solutes: A Molecular Dynamics Simulation Study
Authors:
Choudhury, N
Author Full Names:
Choudhury, Niharendu
Source:
JOURNAL OF CHEMICAL AND ENGINEERING DATA 54 (2): 542-547 FEB 2009
Language:
English
Document Type:
Article
KeyWords Plus:
FREE-ENERGY; ELECTROLYTE SOLUTIONS; COMPUTER-SIMULATION; HEAT-CAPACITY; TEMPERATURE-DEPENDENCE; PRESSURE-DEPENDENCE; LENGTH SCALES; MEAN FORCE; WATER; ENTROPY
Abstract:
The effect of salt concentration on the dynamics of the aqueous solution of small hydrophobic solutes is presented. We have performed molecular dynamics simulation in an isothermal-isobaric ensemble of methane in water without and with sodium chloride of different concentrations at standard temperature and pressure. Mean square displacements of methane, water, and ions have been calculated from the analysis of simulation trajectories, and diffusion constants have been obtained from slope of the respective mean square displacement (MSD) plot. Translational mobilities of these molecules are shown to decrease with the increase of salt concentration. Whether any correlation exists between the translational dynamics and the structure of constituent particles in the solution has been investigated. Analysis of the methane-methane radial distribution function reveals that the decreasing mobility of methane molecules is a consequence of the increasing hydrophobic interaction between !
methane molecules as the concentration of the salt increases. For ions also, the same correlation is observed, whereas in the case of water decreasing mobility is not directly related with its structure.
Reprint Address:
Choudhury, N, Bhabha Atom Res Ctr, Chem Grp, Theoret Chem Sect, Bombay 400085, Maharashtra, India.
Research Institution addresses:
Bhabha Atom Res Ctr, Chem Grp, Theoret Chem Sect, Bombay 400085, Maharashtra, India
E-mail Address:
nihcho@barc.gov.in
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Cited Reference Count:
57
Times Cited:
0
Publisher:
AMER CHEMICAL SOC; 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
Subject Category:
Chemistry, Multidisciplinary; Engineering, Chemical
ISSN:
0021-9568
DOI:
10.1021/je8004886
IDS Number:
407NG
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Title:
Molecular Dynamics Simulation of Fullerene C-60 in Ethanol Solution
Authors:
Cao, Z; Peng, YX; Li, S; Liu, L; Yan, TY
Author Full Names:
Cao, Zhen; Peng, Yuxing; Li, Shu; Liu, Lei; Yan, Tianying
Source:
JOURNAL OF PHYSICAL CHEMISTRY C 113 (8): 3096-3104 FEB 26 2009
Language:
English
Document Type:
Article
KeyWords Plus:
HYDROGEN-BOND KINETICS; CARBON NANOTUBES; HYDROPHOBIC SOLUTES; LIQUID ETHANOL; SOLVATION SHELLS; HYDRATION SHELLS; AQUEOUS-SOLUTION; WATER-STRUCTURE; FORCE-FIELD; CLUSTERS
Abstract:
An ethanol solution containing one or two fullerene C-60 molecules was studied via molecular dynamics simulation. We found that the ethanol molecules form several solvation shells around the central fullerene molecule. Radial distribution functions (RDFs) and hydrogen-bond analyses were employed to detect the structure of the ethanol molecules in the solvation shells. The ethanol molecules in the first solvation shell tend to have their nonpolar alkyl groups exposed to the C-60 surface while the polar hydroxyl groups point outward to maintain a hydrogen-bond network with a clathrate-like structure. Such orientation of the ethanol molecules in the first solvation shell modulates the orientation of the ethanol molecules in the second solvation shell to have the hydroxyl groups pointing inward. The potential of mean force (PMF) between two C-60 molecules in ethanol solution showed that C-60 molecules tend to aggregate in the ethanol solution. There is no ethanol molecule in the!
intersolute area if the distance between the centers of mass of two C-60 molecules is shorter than 10.2 angstrom. The ethanol molecules near the intersolute area tend to have their methyl groups penetrating into the intersolute region if the distance between two C-60 molecules is short, although the hydroxyl,groups have smaller volume. We analyzed the dynamic properties of the ethanol molecules in different solvation shells and found that the relaxation is much slower than that of water solution of C-60 molecules. In addition, the relaxation of the first solvation shell is slower than that in other solvation shells. The lifetime of the hydrogen-bond in the first solvation shell is also longer than that in other solvation shells while the reorientation of the hydrogen-bonded ethanol pair contributes little to break the hydrogen-bonds.
Reprint Address:
Yan, TY, Nankai Univ, Inst Comp Sci, Tianjin 300071, Peoples R China.
Research Institution addresses:
[Yan, Tianying] Nankai Univ, Inst Comp Sci, Tianjin 300071, Peoples R China; [Cao, Zhen; Peng, Yuxing; Li, Shu; Liu, Lei] Nankai Univ, Inst New Energy Mat Chem, Dept Chem Mat, Tianjin 300071, Peoples R China
E-mail Address:
tyan@nankai.edu.cn
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Cited Reference Count:
70
Times Cited:
0
Publisher:
AMER CHEMICAL SOC; 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
Subject Category:
Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary
ISSN:
1932-7447
DOI:
10.1021/jp805894g
IDS Number:
409TS
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