Thermodynamic properties of solid FCC C84 based on an analytic mean field approach

AUTOR(ES)

Wei, Yang, Jiu-xun, Sun, Fei, Yu

FONTE

Brazilian Journal of Physics

DATA DE PUBLICAÇÃO

2008-12

RESUMO

The analytic mean field potential (AMFP) approach is applied to the poly-exponential model solid. The analytic expressions for the Helmholtz free energy, internal energy and equation of state (EOS) are derived. The formalism for the case of the double-exponential (DE) model is applied to fcc C84. One set of potential parameters are determined by fitting the experimental compression data of C84 up to 9.24 GPa at ambient temperature (297 K). The equilibrium distance and well depth for C60, C70 and C84 molecules are plotted. The thermophysical properties including the isothermals, thermal expansion, isochoric heat capacity, Helmholtz free energy and internal energy are calculated and analyzed. The theoretical results agree well with the experimental data available of C84. Basing the results of our calculations, we may also predict the behaviors of C84 at extreme conditions.

Documentos Relacionados

• Thermodynamic properties of solid C2H4
• Design of nucleic acid sequences for DNA computing based on a thermodynamic approach
• Transformation of methylcyclohexane on an FCC catalyst
• ON THE QUOTIENT OF AN ANALYTIC MANIFOLD BY A GROUP OF ANALYTIC HOMEOMORPHISMS*
• Identifying residue–residue clashes in protein hybrids by using a second-order mean-field approach