title: Phase behavior of Ar and Kr films on carbon nanotubes.
abstract: Recent experiments (Wang et al., 2010) have found evidence of phase transitions of gases adsorbed on a single carbon nanotube. In order to understand the observations, we have carried out classical grand canonical Monte Carlo simulations of this system, for the cases of Ar and Kr on zigzag and armchair nanotubes with radius R > 0.7 nm. The calculated behavior resembles the experimental results in the case of Ar. However, the prominent, ordered phase found for Kr in both simulations and (classical) energy minimization calculations differs from that deduced from the experimental data. A tentative explanation of the apparent discrepancy is that the experiments involve a nanotube of rather large radius (>1.5 nm).
authors: Department of Chemistry and Physics, Southeastern Louisiana University, Hammond, Louisiana 70402, USA.
authors: Hye-Young
authors: HY
authors: Kim
authors: Milton W
authors: MW
authors: Cole
authors: Mamadou
authors: M
authors: Mbaye
authors: Silvina M
authors: SM
authors: Gatica