C60
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C60, also known as Buckminsterfullerene is composed of carbon atoms.
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[edit] Models
[edit] Girifalco potential
The Girifalco intermolecular pair potential is given by
\[\Phi (r) = -\alpha \left[ \frac{1}{s(s-1)^3}+ \frac{1}{s(s+1)^3}- \frac{2}{s^4}\right] + \beta \left[ \frac{1}{s(s-1)^9}+ \frac{1}{s(s+1)^9}- \frac{2}{s^{10}}\right]\]
where
\[s=\frac{r}{2a}\]
\[\alpha = \frac{N^2A}{12(2a)^6}\]
\[\beta = \frac{N^2B}{90(2a)^{12}}\]
where \(N\) is the number of atoms on each sphere, i.e. N=60.
[edit] Phase diagram
[edit] Liquid phase
[edit] Gel phase
Simulations of the Girifalco potential indicate a possible gel composed solely of C60 molecules
[edit] References
- ↑ L. A. Girifalco "Molecular properties of fullerene in the gas and solid phases", Journal of Physical Chemistry 96 pp. 858-861 (1992)
- ↑ Ailan Cheng, Michael L. Klein and Carlo Caccamo "Prediction of the phase diagram of rigid C60 molecules", Physical Review Letters 71 pp. 1200-1203 (1993)
- ↑ L. Mederos and G. Navascués "High-temperature phase diagram of the fullerene C60" Physical Review B 50 pp. 1301-1304 (1994)
- ↑ M. Hasegawa and K. Ohno "Monte Carlo simulation study of the high-temperature phase diagram of model C60 molecules", Journal of Chemical Physics 111 pp. 5955- (1999)
- ↑ Pedro Orea "Phase diagrams of model C60 and C70 fullerenes from short-range attractive potentials", Journal of Chemical Physics 130, 104703 (2009)
- ↑ M. H. J. Hagen, E. J. Meijer, G. C. A. M. Mooij, D. Frenkel and H. N. W. Lekkerkerker "Does C60 have a liquid phase?", Nature 365 pp. 425-426 (1993)
- ↑ C. Patrick Royall, and Stephen R. Williams "C60: the first one-component gel?", arXiv:1102.2959v1 (cond-mat.soft) 15 Feb 2011)
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)
