Dimensional crossover and quantum effects of gases adsorbed on nanotube bundles

M. Mercedes Calbi, Milton Walter Cole

Research output: Contribution to journalArticle

60 Citations (Scopus)

Abstract

Adsorption properties of several gases (Ne, CH4, Ar, and Xe) on the external surface of a carbon nanotube bundle are investigated. Calculations are performed at low coverage and variable temperature, and for some fixed temperatures as a function of coverage. Within a simple model (in the limit of very low coverage) we are able to study the evolution of the film's thermal properties from those of a one dimensional (1D) fluid to those of a 2D film. In addition, grand canonical Monte Carlo simulations are performed in order to identify a second-layer groove phase that occurs once a monolayer of atoms covers the external surface. We derive from the simulations the isosteric heat, compressibility, and specific heat as a function of coverage. We evaluate alternative models in order to derive quantum corrections to the classical results. We compare our findings with those of recent adsorption experiments.

Original languageEnglish (US)
Article number115413
Pages (from-to)1154131-11541312
Number of pages10387182
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume66
Issue number11
DOIs
StatePublished - Sep 15 2002

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Nanotubes
bundles
nanotubes
crossovers
Gases
Adsorption
heat
Carbon Nanotubes
Compressibility
gases
Specific heat
Monolayers
Carbon nanotubes
adsorption
Thermodynamic properties
grooves
Atoms
Temperature
compressibility
Fluids

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

Calbi, M. Mercedes ; Cole, Milton Walter. / Dimensional crossover and quantum effects of gases adsorbed on nanotube bundles. In: Physical Review B - Condensed Matter and Materials Physics. 2002 ; Vol. 66, No. 11. pp. 1154131-11541312.
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Dimensional crossover and quantum effects of gases adsorbed on nanotube bundles. / Calbi, M. Mercedes; Cole, Milton Walter.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 66, No. 11, 115413, 15.09.2002, p. 1154131-11541312.

Research output: Contribution to journalArticle

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