Cited Article: Hummer, G. Water conduction through the hydrophobic channel of a carbon nanotube
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Number of Citing Articles: 3 new records this week (3 in this e-mail)
Organization ID: 3b97d1bbc1878baed0ab183d8b03130b
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Title:
Mechanisms of water infiltration into conical hydrophobic nanopores
Authors:
Liu, L; Zhao, JB; Yin, CY; Culligan, PJ; Chen, X
Author Full Names:
Liu, Ling; Zhao, Jianbing; Yin, Chun-Yang; Culligan, Patricia J.; Chen, Xi
Source:
PHYSICAL CHEMISTRY CHEMICAL PHYSICS 11 (30): 6520-6524 2009
Language:
English
Document Type:
Article
KeyWords Plus:
CARBON NANOTUBES; MOLECULAR-DYNAMICS; TRANSPORT; FLOW; BEHAVIORS; GRAPHITE; PRESSURE; LIQUID
Abstract:
Fluid channels with inclined solid walls (e.g. cone- and slit-shaped pores) have wide and promising applications in micro- and nano-engineering and science. In this paper, we use molecular dynamics (MD) simulations to investigate the mechanisms of water infiltration (adsorption) into cone- shaped nanopores made of a hydrophobic graphene sheet. When the apex angle is relatively small, an external pressure is required to initiate infiltration and the pressure should keep increasing in order to further advance the water front inside the nanopore. By enlarging the apex angle, the pressure required for sustaining infiltration can be effectively lowered. When the apex angle is sufficiently large, under ambient condition water can spontaneously infiltrate to a certain depth of the nanopore, after which an external pressure is still required to infiltrate more water molecules. The unusual involvement of both spontaneous and pressure-assisted infiltration mechanisms in the case of bl!
unt nanocones, as well as other unique nanofluid characteristics, is explained by the Young's relation enriched with the size effects of surface tension and contact angle in the nanoscale confinement.
Reprint Address:
Chen, X, Columbia Univ, Sch Engn & Appl Sci, Columbia Nanomech Res Ctr, Mail Code 4709, New York, NY 10027 USA.
Research Institution addresses:
[Liu, Ling; Zhao, Jianbing; Yin, Chun-Yang; Culligan, Patricia J.; Chen, Xi] Columbia Univ, Sch Engn & Appl Sci, Columbia Nanomech Res Ctr, New York, NY 10027 USA; [Yin, Chun-Yang] Univ Teknol MARA, Fac Chem Engn, Shah Alam 40450, Selangor, Malaysia
E-mail Address:
xc2107@columbia.edu
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Cited Reference Count:
34
Times Cited:
0
Publisher:
ROYAL SOC CHEMISTRY; THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND
Subject Category:
Chemistry, Physical; Physics, Atomic, Molecular & Chemical
ISSN:
1463-9076
DOI:
10.1039/b905641f
IDS Number:
474EF
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Title:
Synthesis and characterization of a nickel-organic framework encapsulating hetero-chiral helical water chains in the 1-D channels
Authors:
Wang, CJ; Ren, PD; Zhang, ZB; Yi-Fang; Wang, YY
Author Full Names:
Wang, Cui-Juan; Ren, Ping-Di; Zhang, Zhi-Bin; Yi-Fang; Wang, Yao-Yu
Source:
JOURNAL OF COORDINATION CHEMISTRY 62 (17): 2814-2823 2009
Language:
English
Document Type:
Article
Author Keywords:
Nickel; Rigid multitopic ligands; MOFs; Hydrophilic channels; Water chains
KeyWords Plus:
COORDINATION NETWORK; SURFACE-AREA; DESIGN; LIGAND; COMPLEXES; MOLECULES; CRYSTAL; CONDUCTION; GRAMICIDIN; CHEMISTRY
Abstract:
A porous coordination polymer based on nickel(II) and rigid multitopic ligands, {[Ni(dpdapt)(BDC)(H2O)] center dot 3.5H2O}n (1) (dpdapt = N, N'-di(2-pyridyl)-2,4-diamino-6-phenyl-1,3,5-triazine), has been synthesized and characterized. Compound 1 crystallizes in the space group C2/m and possesses a 3-D open framework with 1-D rhombic hydrophilic channels, in which hetero-chiral helical water chains are located. Two 1-D water chains are further stabilized by hydrogen-bonding interactions with the host, inducing a 10-oxygen ring propagated along the channel. TGA, PXRD analyses, and magnetic properties have also been studied.
Reprint Address:
Wang, CJ, SW JiaoTong Univ, Dept Chem & Chem Engn, Sch Life Sci & Bioengn, Chengdu 610031, Sichuan, Peoples R China.
Research Institution addresses:
[Wang, Cui-Juan; Ren, Ping-Di; Zhang, Zhi-Bin; Yi-Fang] SW JiaoTong Univ, Dept Chem & Chem Engn, Sch Life Sci & Bioengn, Chengdu 610031, Sichuan, Peoples R China; [Wang, Yao-Yu] NW Univ Xian, Dept Chem, Minist Educ, Key Lab Synthet & Nat Funct Mol Chem, Xian 710069, Shaanxi, Peoples R China
E-mail Address:
ejuan6046@163.com; wyaoyu@nwu.edu.cn
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44
Times Cited:
0
Publisher:
TAYLOR & FRANCIS LTD; 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND
Subject Category:
Chemistry, Inorganic & Nuclear
ISSN:
0095-8972
DOI:
10.1080/00958970902926803
IDS Number:
476JT
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Title:
Solvation of Carbon Nanotubes in a Room-Temperature Ionic Liquid
Authors:
Shim, Y; Kim, HJ
Author Full Names:
Shim, Youngseon; Kim, Hyung J.
Source:
ACS NANO 3 (7): 1693-1702 JUL 2009
Language:
English
Document Type:
Article
Author Keywords:
solvation; ionic liquid; imidazolium ion; carbon nanotube; bucky gels; micropore; molecular dynamics simulations
KeyWords Plus:
SOLUTE ELECTRONIC POLARIZABILITY; MOLTEN-SALTS; SOLAR-CELLS; CATALYSIS; DYNAMICS; WATER; ELECTROLYTES; SIMULATION; CONDUCTIVITY; PERFORMANCE
Abstract:
Single- and double-walled carbon nanotubes in the armchair configuration solvated in the room-temperature ionic liquid 1-ethyl-3-methylimidazolium tetrafluoroborate (EMI+BF4-) are studied via molecular dynamics (MD) computer simulations. Cations and anions show smeared-out, cylindrical shell-like distributions outside of the nanotubes irrespective of the nanotube diameter. The ion distributions inside the nanotubes vary markedly with their diameter. For example, in the case of (n,n) single-walled nanotubes, EMI+ and BF4- ions separately form single-shell zigzag and chiral distributions for (8,8) and (10,10), respectively, while (12,12) develops a second internal solvation structure. The first internal solvation shell of (15,15) nanotubes consists of alternating layers of cations and anions along the nanotube axis. In the azimuthal direction, these cations and anions, respectively, form a pentagonal structure, whereas the corresponding ions for (20,20) show disordered octagon!
al structures. The smallest nanotube that allows solvent ions inside the tunnel is (7,7) with a diameter of 0.95 nm, which shows a single file distribution of internal ions, Imidazole rings of cations in the first internal and external solvation shells are mainly parallel to the nanotube surface, indicating pi-stacking between the nanotubes and EMI+ ions there.
Reprint Address:
Kim, HJ, Carnegie Mellon Univ, Dept Chem, 4400 5th Ave, Pittsburgh, PA 15213 USA.
Research Institution addresses:
[Shim, Youngseon; Kim, Hyung J.] Carnegie Mellon Univ, Dept Chem, Pittsburgh, PA 15213 USA; [Kim, Hyung J.] Korea Inst Adv Study, Sch Computat Sci, Seoul 130722, South Korea
E-mail Address:
hjkim@cmu.edu
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Cited Reference Count:
58
Times Cited:
0
Publisher:
AMER CHEMICAL SOC; 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
Subject Category:
Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary
ISSN:
1936-0851
DOI:
10.1021/nn900195b
IDS Number:
474UZ
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