Theoretical study of the saturated vapor pressure and enthalpy of sublimation of C60 and C70 fullerites

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作者
Zubov, VI
Tretiakov, NP
Sanchez-Ortiz, JF
Zubov, IV
Rabelo, JNT
Barrio, JBM
机构
[1] Univ Fed Minas Gerais, Inst Fis, BR-74001970 Goiania, Go, Brazil
[2] Patrice Lumumba Peoples Friendship Univ, Dept Theoret Phys, Moscow, Russia
[3] Univ Nacl Mayor San Marcos, Fac Ciencias Fis, Lima 14, Peru
[4] Univ Corolica Goias, Dept Matemat & Fis, Goiania, Go, Brazil
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摘要
Using the correlative method of the unsymmetrized self-consistent field for strongly anharmonic crystals and the virial expansion for a gas we undertook a theoretical study of the thermodynamic equilibrium between fullerites and their vapors. Results are presented here for the saturated vapor pressure and the enthalpy of sublimation for two, more widespread fullerites, C-60 and C-70 The calculations have been made over the whole interval from the equilibrium point with orientationally ordered modifications up to the spinodal temperature of the two-phase systems crystal-vapor T-S. For C-60 it has been estimated as T-S approximate to 1917 K. We estimate the triple point parameters for C-60: T-tr approximate to 1460 K, P-tr approximate to 740 Torr, and for C-70: T-tr approximate to 1500 K, P-tr approximate to 655 Torr.
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页码:51 / 58
页数:8
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