Ar and CO2 physisorption on a very well crystallized sample of fullerene C-60 was studied by means of Monte Carlo computer simulations. Ar and CO2 experimental isotherms were determined on high-purity C60 to fit the potential parameters. Analysis of the structure of the adsorbed film indicated that both gases are adsorbed in the voids of the C-60 structure in a solid state with densities slightly larger than the bulk solid. Both gases exhibited a behavior similar to nitrogen. The cross-sectional area found for Ar is 0.121 nm(2). The existence of three adsorption sites found previously has been confirmed.
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St Petersburg State Polytech Univ, St Petersburg Acad Sci Strength Problems, Polytekhnicheskaya 29, St Petersburg 195251, RussiaSt Petersburg State Polytech Univ, St Petersburg Acad Sci Strength Problems, Polytekhnicheskaya 29, St Petersburg 195251, Russia
Melker, Alexander, I
Krupina, Maria A.
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St Petersburg State Polytech Univ, Dept Expt Phys, Polytekhnicheskaya 29, St Petersburg 195251, RussiaSt Petersburg State Polytech Univ, St Petersburg Acad Sci Strength Problems, Polytekhnicheskaya 29, St Petersburg 195251, Russia
Krupina, Maria A.
Zarafutdinov, Ruslan M.
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St Petersburg State Polytech Univ, Dept Mech & Control Proc, Polytekhnicheskaya 29, St Petersburg 195251, RussiaSt Petersburg State Polytech Univ, St Petersburg Acad Sci Strength Problems, Polytekhnicheskaya 29, St Petersburg 195251, Russia