Produção Nacional
Theoretical study of the saturated vapor pressure and enthalpy of sublimation of C 60 sfullerite
1997; American Physical Society; Volume: 55; Issue: 11 Linguagem: Inglês
10.1103/physrevb.55.6747
ISSN1095-3795
AutoresV.P. Zubov, J. F. Sanchez-Ortiz, J. N. Teixeira Rabelo, И.В. Зубов,
Tópico(s)Astrophysics and Star Formation Studies
ResumoThe saturated vapor pressure and the enthalpy of sublimation of ${\mathrm{C}}_{60}$ has been calculated using a virial expansion for the gas and the correlative method of an unsymmetrized self-consistent field for the crystal, from the equilibrium point with the orientationally ordered phase up to the spinodal point estimated as ${\mathrm{T}}_{\mathrm{s}}$ \ensuremath{\approx}1917 K. The Girifalco intermolecular potential is utilized. The dependence ${\mathrm{lnP}}_{\mathrm{sat}}$ (1/T) is close to a linear one, while \ensuremath{\Delta}${\mathrm{H}}_{\mathrm{sub}}$ decreases from 172.9 to 140.5 kJ/mole. The results are in good agreement with experimental data available between 600 and 990 K. Scaling of values obtained earlier for Ar gives an estimate for the triple point of the ${\mathrm{C}}_{60}$ fullerene: ${\mathrm{T}}_{\mathrm{tr}}$ \ensuremath{\approx}1460 K, ${\mathrm{P}}_{\mathrm{tr}}$ \ensuremath{\approx}740 Torr.
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