C60

C₆₀, also known as Buckminsterfullerene is composed of carbon atoms.

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C60

Models

Girifalco potential

The Girifalco intermolecular pair potential is given by (Eq. 4):

$\Phi (r)=-\alpha \left[{\frac {1}{s(s-1)^{3}}}+{\frac {1}{s(s+1)^{3}}}-{\frac {2}{s^{4}}}\right]+\beta \left[{\frac {1}{s(s-1)^{9}}}+{\frac {1}{s(s+1)^{9}}}-{\frac {2}{s^{10}}}\right]$

where

$s={\frac {r}{2a}}$

$\alpha ={\frac {N^{2}A}{12(2a)^{6}}}$

$\beta ={\frac {N^{2}B}{90(2a)^{12}}}$

where $N$ is the number of atoms on each sphere, i.e. N=60.

Gel phase

Simulations of the Girifalco potential indicate a possible gel composed solely of C₆₀ molecules

References

Related reading

• C. Caccamo "Modified-hypernetted-chain determination of the phase diagram of rigid C60 molecules", Physical Review B 51 pp. 3387-3390 (1995)
• M. Hasegawa and K. Ohno "Density functional theory for the phase diagram of rigid C60 molecules", Physical Review E 54 pp. 3928-3932 (1996)
• C. Caccamo, D. Costa, and A. Fucile "A Gibbs ensemble Monte Carlo study of phase coexistence in model C60", Journal of Chemical Physics 106 pp. 255- (1997)
• M. Bahaa Khedr, S. M. Osman and M.S. Al Busaidi "Surface tension, shear viscosity and isothermal compressibility of liquid C60 along the liquid-vapour coexistence", Molecular Physics 107 pp. 1355-1366 (2009)