Molecular dynamics of transient oil flows in nanopores. II. Density profiles and molecular structure for decane in carbon nanotubes

Journal of Chemical Physics

Volumn 122, Issue 10, 2005, Pages

  Supple, S ^a   Quirke, N ^a  

^a IMPERIAL COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION ENERGY; DECANE; NANOPORES; TRANSIENT OIL FLOWS;

ADSORPTION; CONFORMATIONS; DIFFUSION; INCOMPRESSIBLE FLOW; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; PARAFFINS; POROSITY;

CARBON NANOTUBES;

EID: 17444403612     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1856927     Document Type: Article

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25. To compare with nongraphitic tubes that would present a more corrugated potential energy surface, we created "rare gas tubes," so-called because the surface that is rolled to form the tube has a low surface density of atoms, ρ σ2 =1.00, indicative of a rare gas wall, see Ref..
26. Figure 9 of paper I (Ref.) is incorrectly labelled. The plot is of the minimum energy of a united atom CH2 unit, not a single decane molecule.