Thermophysical Properties of Materials
The melting of fullerites from small or large fullerenes
M. N. Magomedov Institute of Geothermy Problems, Makhachkala
Abstract:
The physical limits are studied theoretically for a mass of fullerenes which may be used to produce a stable crystal, i.e., fullerite. The dependence of the parameters of interfullerene interaction on the mass of fullerene
$C_{nc}$ is used to study the evolution of the properties of fullerite as a result of variation of the number of carbon atoms
$nc$ in fullerene
$C_{nc}$. The dependences of the energy of activation process and surface energy are calculated for different values of temperature and pressure in the
$15 \le nc \le 147$ range. It is demonstrated that fullerite becomes unstable at
$nc < 20$, because small-sized light fullerenes cannot be localized due to weak Van der Waals forces. At the same time, fullerites with
$nc \ge 110$ exhibit abnormally low values of surface energy; this must bring about the fragmentation of nanoclusters of hollow spherical
$C_{nc}$ molecules of such a large size. Four empirical equations are used to estimate the dependence of the melting temperature of fullerite on
$nc$. It is demonstrated that the melting temperature in the case of fullerites from small or large fullerenes is lower than that in the case of fullerites at
$50 < nc < 90$. It is inferred that the
$30 < nc < 100$ range is optimal for the formation of stable fullerite.
UDC:
536.4 + 539.196
PACS:
61.48.+c, 64.70.Dv
Received: 31.01.2006