We are pursuing statistical-mechanical investigations of thermodynamic properties of the high-temperature modification of the C,, fuller&e taking into account the intramolecular degrees of freedom and the strong anharmonicity of lattice vibrations. In our theoretical calculations we employed the cor
Similarity laws and thermodynamic quantities for fullerite C60
β Scribed by V.S. Vorob'ev; A.V. Eletskii
- Publisher
- Elsevier Science
- Year
- 1996
- Tongue
- English
- Weight
- 379 KB
- Volume
- 254
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
The crystal structure of solid fullerite C6o at temperatures exceeding 260 K is the face centered cubit one. The intermolecular interaction in this crystal is short range so each C6o molecule interacts only with the neares~ neighbors. Substances having the mentioned features form a class of those with some common properties. Thus the thermodynamic behavior of substances belonging to this class is governed by similarity laws in accordance with which the ther~nodynamic parameters are dimensionless functions of quantities constructed of the molecular mass p,, temperature T, well depth in the intermolecular interaction potential D and equilibrium intermolecular distance R o. One of these similarity laws has been used to process known data related to the pressure vapor temperature dependences for fullerite C6o. Thi~ permits a refinement of the magnitude D = 0.257 + 0.01 eV known up to now with more uncertainty. This magnitudei is used for checking the fulfilment of similarity laws for those fullerite thermodynamic parameters for which experimer~tal data are available. The fulfilment of similarity laws permits an estimation of the critical parameters, melting and boili~ag temperatures, bulk modulus and also the Debye temperature for fullerite. The obtained data are analyzed in terms of the possibility of the existence of fullerene in the liquid state.
π SIMILAR VOLUMES
Literature values of β¬GΒ°(change in Gibbs free energy), β¬HΒ°(change in enthalpy), and Tβ¬SΒ°(temperature times change in entropy) for 1:1 complex formation by β£-, β€-, and β₯-cyclodextrins constitute normally distributed populations with the following statistical parameters (all energy quantities in kcal