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Volumn 121, Issue 16, 2004, Pages 7996-8002

EqullIbrIum and kinetlcs: Water confined in carbon nanotubes as one-dimensional lattlce gas

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CARBON NANOTUBES; COMPUTER SIMULATION; FREE ENERGY; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; STATISTICAL MECHANICS; WATER;

EID: 8344222958     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1799971     Document Type: Article
Times cited : (19)

References (18)
  • 8
    • 8344223511 scopus 로고    scopus 로고
    • note
    • c, it is not necessary to do so due to the current objective of the model.
  • 9
    • 8344254214 scopus 로고    scopus 로고
    • note
    • H of each bond of the chain may exist fluctuation. But for a short chain (N<5), we can use the average value of the free energies, and the fluctuation can further be neglected.
  • 12
    • 8344225858 scopus 로고    scopus 로고
    • note
    • a is not important, so as ΔG changes from >0 to <0 (the external field H changes its direction in the equivalent Ising model), a sharp transition from empty to filled states comes to appear (the magnetic moment changes its direction sharply).
  • 13
    • 8344272615 scopus 로고    scopus 로고
    • note
    • The 27 Å nanotube used in the recent MD simulations has 11 graphene unit cells along its axis and the 13.5 Ånanotube have 5.5 graphene unit cells.
  • 14
    • 8344255552 scopus 로고    scopus 로고
    • note
    • ain the25.8 Å nanotube should be far lower than that in the 13.5 Å nanotube. Even though, due to the positive ΔG, thefree energy of the empty state may be still lower than that of the filled state.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.