메뉴 건너뛰기




Volumn 1, Issue 3, 2010, Pages 247-255

A molecular dynamic simulation of the behavior of water molecules inside a carbon nanotube

Author keywords

Carbon nanotube; Molecular dynamic simulation; SPC E model; Water molecules

Indexed keywords

MOLECULAR DYNAMIC SIMULATION; MOLECULAR DYNAMIC SIMULATIONS; MOLECULAR DYNAMICS SIMULATIONS; NANOTUBE AXIS; SPC/E MODEL; STRONGLY CONNECTED; WATER MOLECULE; WATER MOLECULES;

EID: 78751617427     PISSN: 19475748     EISSN: None     Source Type: Journal    
DOI: 10.1615/NanomechanicsSciTechnolIntJ.v1.i3.40     Document Type: Article
Times cited : (6)

References (12)
  • 1
    • 1242346370 scopus 로고
    • The missing term in effective pair potential
    • Berendsen, H. J. C., Grigera, J. R., and Straatsma, T. P., The missing term in effective pair potential, J. Phys. Chem., vol. 91, pp. 6269-6271, 1987.
    • (1987) J. Phys. Chem. , vol.91 , pp. 6269-6271
    • Berendsen, H.J.C.1    Grigera, J.R.2    Straatsma, T.P.3
  • 2
    • 78751619197 scopus 로고    scopus 로고
    • Simulation of confined water in equilibrium with a bulk reservoir
    • Brovchenko, I. V, Geiger, A., and Paschek, D., Simulation of confined water in equilibrium with a bulk reservoir, Fluid Phase Equilibria, vol. 331, pp. 183-184, 2001.
    • (2001) Fluid Phase Equilibria , vol.331 , pp. 183-184
    • Brovchenko, I.V.1    Geiger, A.2    Paschek, D.3
  • 3
    • 39049118546 scopus 로고    scopus 로고
    • Water confined in nanotubes and between graphene sheets: A first principle study
    • Cicero, G., Grossman, J. C., Schwegler, E., Gygi, F., and Galli, G., Water confined in nanotubes and between graphene sheets: A first principle study, J. Am. Chem. Soc., vol. 130, pp. 1871-1878, 2008.
    • (2008) J. Am. Chem. Soc. , vol.130 , pp. 1871-1878
    • Cicero, G.1    Grossman, J.C.2    Schwegler, E.3    Gygi, F.4    Galli, G.5
  • 4
    • 0036639499 scopus 로고    scopus 로고
    • Confined water in the low hydration regime
    • Gallo, P., Rapinesi, M., and Rovere, M., Confined water in the low hydration regime, J. Chem. Phys., vol. 117, pp. 369-375, 2002.
    • (2002) J. Chem. Phys. , vol.117 , pp. 369-375
    • Gallo, P.1    Rapinesi, M.2    Rovere, M.3
  • 5
    • 0001163718 scopus 로고    scopus 로고
    • Hydrogen bond structure of liquid water confined in nanotubes
    • Gordillo, M. C. and Marti, J., Hydrogen bond structure of liquid water confined in nanotubes, Chem. Phys. Lett., vol. 329, pp. 329-341, 2000.
    • (2000) Chem. Phys. Lett. , vol.329 , pp. 329-341
    • Gordillo, M.C.1    Marti, J.2
  • 6
    • 0001593484 scopus 로고    scopus 로고
    • Molecular dynamic simulation of supercritical water confined within a carbon-slip pore
    • Gordillo, M. C. and Marti, J., Molecular dynamic simulation of supercritical water confined within a carbon-slip pore, Chem. Phys. Lett., vol. 341, pp. 250-254, 2001.
    • (2001) Chem. Phys. Lett. , vol.341 , pp. 250-254
    • Gordillo, M.C.1    Marti, J.2
  • 7
    • 17044406611 scopus 로고    scopus 로고
    • The dynamics and energetic of water permeation and proton exclusion in aquaporins
    • Groot, B. L. D. and Grubmuller, H.The dynamics and energetic of water permeation and proton exclusion in aquaporins, Curr. Opin. Struct. Biol., vol. 15, pp. 176-183, 2005.
    • (2005) Curr. Opin. Struct. Biol. , vol.15 , pp. 176-183
    • Groot, B.L.D.1    Grubmuller, H.2
  • 8
    • 0033733124 scopus 로고    scopus 로고
    • Grand canonical Monte Carlo simulation of non-rigid molecules: Siting and segregation in silicalite zeolite
    • Gupta, A., Clark, L. A., and Snurr, R. Q., Grand canonical Monte Carlo simulation of non-rigid molecules: Siting and segregation in silicalite zeolite, Langmuir. vol. 16, pp. 3910-3919, 2000.
    • (2000) Langmuir. , vol.16 , pp. 3910-3919
    • Gupta, A.1    Clark, L.A.2    Snurr, R.Q.3
  • 9
    • 0035829539 scopus 로고    scopus 로고
    • Water conduction through the hydrophobic channel of a carbon nanotube
    • Hummer, G., Rasaiah, J. C., and Noworyta, J. P., Water conduction through the hydrophobic channel of a carbon nanotube, Nature,vol. 414, pp. 188-190, 2001.
    • (2001) Nature , vol.414 , pp. 188-190
    • Hummer, G.1    Rasaiah, J.C.2    Noworyta, J.P.3
  • 11
    • 0035939951 scopus 로고    scopus 로고
    • Formation of ordered ice nanotubes inside carbon nanotubes
    • Koga, K., Gao, G. T., Tanaka, H., and Zeng, X. C., Formation of ordered ice nanotubes inside carbon nanotubes, Nature, vol. 412, pp. 802-805, 2001.
    • (2001) Nature , vol.412 , pp. 802-805
    • Koga, K.1    Gao, G.T.2    Tanaka, H.3    Zeng, X.C.4
  • 12
    • 29444460373 scopus 로고    scopus 로고
    • Dynamics and density profile of water in nanotubes as onedimensional fluid
    • Liu, Y. C.,Wang, Q., Zhang, L.,and Wu, T., Dynamics and density profile of water in nanotubes as onedimensional fluid, Langmuir, vol. 21, pp. 12025-12030, 2005.
    • (2005) Langmuir , vol.21 , pp. 12025-12030
    • Liu, Y.C.1    Wang, Q.2    Zhang, L.3    Wu, T.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.