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Volumn 34, Issue 7, 2008, Pages 671-678

Self-diffusivity, hydrogen bonding and density of different water models in carbon nanotubes

Author keywords

Carbon nanotubes; Confined water; Molecular dynamics; Water properties

Indexed keywords

DIFFUSION IN LIQUIDS; DYNAMICS; HYDROGEN; HYDROGEN BONDS; KETONES; MOLECULAR DYNAMICS; NANOCOMPOSITES; NANOPORES; NANOSTRUCTURED MATERIALS; NANOSTRUCTURES; NANOTECHNOLOGY; NANOTUBES; NONMETALS; QUANTUM CHEMISTRY;

EID: 49649105470     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020802073057     Document Type: Article
Times cited : (62)

References (36)
  • 1
    • 10044257487 scopus 로고    scopus 로고
    • Near-infrared fluorescence microscopy of single-walled carbon nanotubes in phagocytic cells
    • P. Cherukuri, S.M. Bachilo, S.H. Litovsky, and R.B. Weisman, Near-infrared fluorescence microscopy of single-walled carbon nanotubes in phagocytic cells, J. Am. Chem. Soc. 126 (2004), pp. 15638-15639.
    • (2004) J. Am. Chem. Soc , vol.126 , pp. 15638-15639
    • Cherukuri, P.1    Bachilo, S.M.2    Litovsky, S.H.3    Weisman, R.B.4
  • 2
    • 3042818668 scopus 로고    scopus 로고
    • Nanotube molecular transporters: Internalization of carbon nanotube-protein conjugates into mammalian cells
    • N.W.S. Kam, T.C. Jessop, P.A. Wender, and H.J. Dai, Nanotube molecular transporters: Internalization of carbon nanotube-protein conjugates into mammalian cells, J. Am. Chem. Soc. 126 (2004), pp. 6850-6851.
    • (2004) J. Am. Chem. Soc , vol.126 , pp. 6850-6851
    • Kam, N.W.S.1    Jessop, T.C.2    Wender, P.A.3    Dai, H.J.4
  • 3
    • 0001163718 scopus 로고    scopus 로고
    • Hydrogen bond structure of liquid water confined in nanotubes
    • M.C. Gordillo and J. Martí, Hydrogen bond structure of liquid water confined in nanotubes, Chem. Phys. Lett. 329 (2000), pp. 341-345.
    • (2000) Chem. Phys. Lett , vol.329 , pp. 341-345
    • Gordillo, M.C.1    Martí, J.2
  • 4
    • 0141521782 scopus 로고    scopus 로고
    • Anomalously immobilized water: A new water phase induced by confinement in nanotubes
    • R.J. Mashl, S. Joseph, N.R. Alum, and E. Jakobsson,Anomalously immobilized water: A new water phase induced by confinement in nanotubes, Nano Lett. 3 (2003), pp. 589-592.
    • (2003) Nano Lett , vol.3 , pp. 589-592
    • Mashl, R.J.1    Joseph, S.2    Alum, N.R.3    Jakobsson, E.4
  • 5
    • 34547853634 scopus 로고    scopus 로고
    • Flow structure of water in carbon nanotubes: Poiseuille type or plug-like?
    • I. Hanasaki and A. Nakatani, Flow structure of water in carbon nanotubes: Poiseuille type or plug-like? J. Chem. Phys. 124 (2006), p. 144708.
    • (2006) J. Chem. Phys , vol.124 , pp. 144708
    • Hanasaki, I.1    Nakatani, A.2
  • 6
    • 33846356736 scopus 로고    scopus 로고
    • Molecular dynamics simulation study of the structural characteristics of water molecules confined in functionalized carbon nanotubes
    • L.L. Huang, L.Z. Zhang, Q. Shao, J. Wang, L.H. Lu, X.H. Lu, S.Y. Jiang, and W.F. Shen, Molecular dynamics simulation study of the structural characteristics of water molecules confined in functionalized carbon nanotubes, J. Phys. Chem. B 110 (2006), pp. 25761-25768.
    • (2006) J. Phys. Chem. B , vol.110 , pp. 25761-25768
    • Huang, L.L.1    Zhang, L.Z.2    Shao, Q.3    Wang, J.4    Lu, L.H.5    Lu, X.H.6    Jiang, S.Y.7    Shen, W.F.8
  • 7
    • 34249041593 scopus 로고    scopus 로고
    • The structure and dynamics of water inside armchair carbon nanotube
    • X.Y. Zhou and H.J. Lu, The structure and dynamics of water inside armchair carbon nanotube. Chin. Phys. 16 (2007), pp. 335-339.
    • (2007) Chin. Phys , vol.16 , pp. 335-339
    • Zhou, X.Y.1    Lu, H.J.2
  • 8
    • 49649115443 scopus 로고    scopus 로고
    • M. Chaplin, Water structure and behaviour, Available at http://www.lsbu.ac.uk/water, last visited 16 May 2007.
    • M. Chaplin, Water structure and behaviour, Available at http://www.lsbu.ac.uk/water, last visited 16 May 2007.
  • 9
    • 27144496013 scopus 로고    scopus 로고
    • Understanding the loading dependence of self-diffusion in carbon nanotubes
    • S. Jakobtorweihen, M.G. Verbeek, C.P. Lowe, F.J. Keil, and B. Smit, Understanding the loading dependence of self-diffusion in carbon nanotubes, Phys. Rev. Lett. 95 (2005), p. 044501.
    • (2005) Phys. Rev. Lett , vol.95 , pp. 044501
    • Jakobtorweihen, S.1    Verbeek, M.G.2    Lowe, C.P.3    Keil, F.J.4    Smit, B.5
  • 11
    • 33644817086 scopus 로고
    • Empirical potential for hydrocarbons for use in simulating the chemical vapor-deposition of diamond films
    • D.W. Brenner, Empirical potential for hydrocarbons for use in simulating the chemical vapor-deposition of diamond films, Phys. Rev. B 42 ( 1990), pp. 9458 -9471.
    • (1990) Phys. Rev. B , vol.42 , pp. 9458-9471
    • Brenner, D.W.1
  • 12
    • 42749092965 scopus 로고    scopus 로고
    • Influence of water model and nanotube rigidity on the density of water in carbon nanotubes
    • A. Alexiadis and S. Kassinos, Influence of water model and nanotube rigidity on the density of water in carbon nanotubes, Chem. Eng. Sci. 63 (2008), pp. 2793-2797.
    • (2008) Chem. Eng. Sci , vol.63 , pp. 2793-2797
    • Alexiadis, A.1    Kassinos, S.2
  • 13
    • 34147149080 scopus 로고    scopus 로고
    • Pressure dependence of the radial breathing mode of carbon nanotubes: The effect of fluid adsorption
    • M.J. Longhurst and N. Quirke, Pressure dependence of the radial breathing mode of carbon nanotubes: The effect of fluid adsorption, Phys. Rev. Lett. 98 (2007), p. 145503.
    • (2007) Phys. Rev. Lett , vol.98 , pp. 145503
    • Longhurst, M.J.1    Quirke, N.2
  • 14
    • 33745302789 scopus 로고    scopus 로고
    • The environmental effect on the radial breathing mode of carbon nanotubes in water
    • _, The environmental effect on the radial breathing mode of carbon nanotubes in water, J. Chem. Phys. 124 (2006), p. 234708.
    • (2006) J. Chem. Phys , vol.124 , pp. 234708
    • Longhurst, M.J.1    Quirke, N.2
  • 15
    • 33751004732 scopus 로고    scopus 로고
    • The environmental effect on the radial breathing mode of carbon nanotubes. II. Shell model approximation for internally and externally adsorbed fluids
    • _, The environmental effect on the radial breathing mode of carbon nanotubes. II. Shell model approximation for internally and externally adsorbed fluids, J. Chem. Phys. 125 (2006), p. 184705.
    • (2006) J. Chem. Phys , vol.125 , pp. 184705
    • Longhurst, M.J.1    Quirke, N.2
  • 17
    • 0000125216 scopus 로고    scopus 로고
    • Calibration and testing of a water model for simulation of the molecular dynamics of proteins and nucleic acids in solution
    • M. Levitt, M. Hirshberg, R. Sharon, K.E. Laidig, and V. Daggett, Calibration and testing of a water model for simulation of the molecular dynamics of proteins and nucleic acids in solution, J. Phys. Chem. B 101 (1997), pp. 5051-5061.
    • (1997) J. Phys. Chem. B , vol.101 , pp. 5051-5061
    • Levitt, M.1    Hirshberg, M.2    Sharon, R.3    Laidig, K.E.4    Daggett, V.5
  • 18
    • 25144473562 scopus 로고    scopus 로고
    • Structural properties of water: Comparison of the spc, spce, tip4p and tip5p models of water
    • J. Zielkiewicz, Structural properties of water: Comparison of the spc, spce, tip4p and tip5p models of water, J. Chem. Phys. 123 (2005), p. 104501.
    • (2005) J. Chem. Phys , vol.123 , pp. 104501
    • Zielkiewicz, J.1
  • 19
    • 30744437399 scopus 로고    scopus 로고
    • Flexible simple pointcharge water model with improved liquid-state properties
    • Y.J. Wu, H.L. Tepper, and G.A. Voth, Flexible simple pointcharge water model with improved liquid-state properties, J. Chem. Phys. 124 (2006), p. 024503.
    • (2006) J. Chem. Phys , vol.124 , pp. 024503
    • Wu, Y.J.1    Tepper, H.L.2    Voth, G.A.3
  • 20
    • 0346742485 scopus 로고    scopus 로고
    • Layering behavior and axial phase equilibria of pure water and water plus carbon dioxide Inside single wall carbon nanotubes
    • J.L. Rivera, C McCabe, and P.T. Cummings, Layering behavior and axial phase equilibria of pure water and water plus carbon dioxide Inside single wall carbon nanotubes, Nano Lett. 2 (2002), pp. 1427-1431.
    • (2002) Nano Lett , vol.2 , pp. 1427-1431
    • Rivera, J.L.1    McCabe, C.2    Cummings, P.T.3
  • 21
    • 1542405221 scopus 로고    scopus 로고
    • Diameter and helicity effects on static properties of water molecules confined in carbon nanotubes
    • J. Wang Y. Zhu, J. Zhou, and X.H. Lu, Diameter and helicity effects on static properties of water molecules confined in carbon nanotubes, Phys. Chem. Chem. Phys. 6(4) (2004), pp. 829-835.
    • (2004) Phys. Chem. Chem. Phys , vol.6 , Issue.4 , pp. 829-835
    • Wang, J.1    Zhu, Y.2    Zhou, J.3    Lu, X.H.4
  • 22
    • 33749662735 scopus 로고    scopus 로고
    • Helicity and temperature effects on static properties of water molecules confined in modified carbon nanotubes
    • L.L. Huang, Q. Shao, L.H. Lu, X.H. Lu, L.Z. Zhang, J. Wang, and S.Y. Jiang, Helicity and temperature effects on static properties of water molecules confined in modified carbon nanotubes, Phys. Chem. Chem. Phys. 8(33) (2006), pp. 3836-3844.
    • (2006) Phys. Chem. Chem. Phys , vol.8 , Issue.33 , pp. 3836-3844
    • Huang, L.L.1    Shao, Q.2    Lu, L.H.3    Lu, X.H.4    Zhang, L.Z.5    Wang, J.6    Jiang, S.Y.7
  • 23
    • 33644950697 scopus 로고    scopus 로고
    • Transport behavior of water confined in carbon nanotubes
    • Y.C. Liu and Q. Wang, Transport behavior of water confined in carbon nanotubes, Phys. Rev. B 72 (2005), p. 085420.
    • (2005) Phys. Rev. B , vol.72 , pp. 085420
    • Liu, Y.C.1    Wang, Q.2
  • 24
    • 22944444247 scopus 로고    scopus 로고
    • A diffusion model for the fluids confined in micropores
    • Y.C. Liu, Q. Wang, and X.F. Li, A diffusion model for the fluids confined in micropores, J. Chem. Phys. 122 (2005), p. 044714.
    • (2005) J. Chem. Phys , vol.122 , pp. 044714
    • Liu, Y.C.1    Wang, Q.2    Li, X.F.3
  • 25
    • 0035875428 scopus 로고    scopus 로고
    • Time-dependent properties of liquid water isotopes adsorbed in carbon nanotubes
    • J. Marti and M.C. Gordillo, Time-dependent properties of liquid water isotopes adsorbed in carbon nanotubes, J. Chem. Phys. 114 (2001), pp. 10486-10492.
    • (2001) J. Chem. Phys , vol.114 , pp. 10486-10492
    • Marti, J.1    Gordillo, M.C.2
  • 26
    • 0035829539 scopus 로고    scopus 로고
    • Water conduction through the hydrophobic channel of a carbon nanotube
    • G. Hummer, J.C Rasaiah, and J.P. Noworyta, Water conduction through the hydrophobic channel of a carbon nanotube, Nature 414 (2001), pp. 188-190.
    • (2001) Nature , vol.414 , pp. 188-190
    • Hummer, G.1    Rasaiah, J.C.2    Noworyta, J.P.3
  • 27
    • 34547926104 scopus 로고    scopus 로고
    • Hydrogen bond dynamics and microscopic structure of confined water inside carbon nanotubes
    • I. Hanasaki and A. Nakatani, Hydrogen bond dynamics and microscopic structure of confined water inside carbon nanotubes, J. Chem. Phys. 124 (2006), p. 174714.
    • (2006) J. Chem. Phys , vol.124 , pp. 174714
    • Hanasaki, I.1    Nakatani, A.2
  • 29
    • 84906391926 scopus 로고
    • Temperature and size dependence for monte-carlo simulations of tip4p water
    • W.L. Jorgensen and J.D. Madura, Temperature and size dependence for monte-carlo simulations of tip4p water, Mol. Phys. 56 (1985), pp. 1381-1392.
    • (1985) Mol. Phys , vol.56 , pp. 1381-1392
    • Jorgensen, W.L.1    Madura, J.D.2
  • 30
    • 0002300553 scopus 로고    scopus 로고
    • Hydrogen-bond kinetics in liquid water
    • A. Luzar and D. Chandler, Hydrogen-bond kinetics in liquid water, Nature 379 (1996), pp. 55-57.
    • (1996) Nature , vol.379 , pp. 55-57
    • Luzar, A.1    Chandler, D.2
  • 31
    • 84979113075 scopus 로고
    • Eine neue bestimmung der moleküldimenslonen
    • A. Einstein, Eine neue bestimmung der moleküldimenslonen, Ann. Phys. 19 (1906), pp. 289-305.
    • (1906) Ann. Phys , vol.19 , pp. 289-305
    • Einstein, A.1
  • 32
    • 33646406023 scopus 로고    scopus 로고
    • The mechanism of water diffusion in narrow carbon nanotubes
    • A. Striolo, The mechanism of water diffusion in narrow carbon nanotubes, Nano Lett. 6 (2006), pp. 633-639.
    • (2006) Nano Lett , vol.6 , pp. 633-639
    • Striolo, A.1
  • 33
    • 34047100404 scopus 로고    scopus 로고
    • Strong correlations and fickian water diffusion in narrow carbon nanotubes
    • B. Mukherjee, P.K. Maitib, C. Dasguptac, and A.K Sood, Strong correlations and fickian water diffusion in narrow carbon nanotubes, J. Chem. Phys. 126 (2007), pp. 1-8.
    • (2007) J. Chem. Phys , vol.126 , pp. 1-8
    • Mukherjee, B.1    Maitib, P.K.2    Dasguptac, C.3    Sood, A.K.4
  • 36
    • 84880918263 scopus 로고
    • A molecular-dynamics simulation of a water model with intramolecular degrees of freedom
    • O. Teleman, B. Jonsson, and S. Engstrom, A molecular-dynamics simulation of a water model with intramolecular degrees of freedom, Mol. Phys. 60 (1987), pp. 193-203.
    • (1987) Mol. Phys , vol.60 , pp. 193-203
    • Teleman, O.1    Jonsson, B.2    Engstrom, S.3


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