C60 - Revision history

Carl McBride: Corrected journal name in a refernce

2018-01-03T17:01:27Z

Corrected journal name in a refernce

← Older revision		Revision as of 19:01, 3 January 2018
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	where <math>N</math> is the number of atoms on each sphere, i.e. N=60.		where <math>N</math> is the number of atoms on each sphere, i.e. N=60.
	====Approximate non-conformal potential====		====Approximate non-conformal potential====
	The [[Approximate non-conformal potential]] ('''ANC''') for the C60 fullerene is given by (Eq 6 in <ref>[http://dx.doi.org/10.1016/j.chemphys.2017.05.014 Jesús Eloy Ramos "Effective intermolecular potential and critical point for C60 molecule", ~~Journal of~~ Chemical Physics '''492''' pp. 5-11 (2017)]</ref>):		The [[Approximate non-conformal potential]] ('''ANC''') for the C60 fullerene is given by (Eq 6 in <ref>[http://dx.doi.org/10.1016/j.chemphys.2017.05.014 Jesús Eloy Ramos "Effective intermolecular potential and critical point for C60 molecule", Chemical Physics '''492''' pp. 5-11 (2017)]</ref>):

	:<math>\Phi_{12}(z) = \epsilon \left[ \frac{1-a}{(z^3/S +1 - 1/S)^{1/3} -a} \right]^{12} - 2\epsilon \left[ \frac{1-a}{(z^3/S +1 - 1/S)^{1/3} -a} \right]^{6} </math>		:<math>\Phi_{12}(z) = \epsilon \left[ \frac{1-a}{(z^3/S +1 - 1/S)^{1/3} -a} \right]^{12} - 2\epsilon \left[ \frac{1-a}{(z^3/S +1 - 1/S)^{1/3} -a} \right]^{6} </math>

Carl McBride: /* Models */ Added Approximate non-conformal potential

2018-01-03T15:52:07Z

Models: Added Approximate non-conformal potential

@@ Line 16: / Line 16: @@
 where <math>N</math> is the number of atoms on each sphere, i.e. N=60.
 ==Phase diagram==
 <ref>[http://dx.doi.org/10.1103/PhysRevLett.71.1200      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)]</ref>

Carl McBride: /* References */ Added a recent publication

2015-11-13T17:12:15Z

References: Added a recent publication

← Older revision		Revision as of 19:12, 13 November 2015
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	*[http://dx.doi.org/10.1080/00268970902881979 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)]		*[http://dx.doi.org/10.1080/00268970902881979 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)]
	*[http://dx.doi.org/10.1063/1.4866451 Minkyu Kim, Jaeeon Chang and Stanley I. Sandler "Monte Carlo simulations for the free energies of C60 and C70 fullerene crystals by acceptance ratio method and expanded ensemble method", Journal of Chemical Physics '''140''' 084110 (2014)]		*[http://dx.doi.org/10.1063/1.4866451 Minkyu Kim, Jaeeon Chang and Stanley I. Sandler "Monte Carlo simulations for the free energies of C60 and C70 fullerene crystals by acceptance ratio method and expanded ensemble method", Journal of Chemical Physics '''140''' 084110 (2014)]
			*[http://dx.doi.org/10.1063/1.4932591 D. M. Edmunds, P. Tangney, D. D. Vvedensky and W. M. C. Foulkes "Free-energy coarse-grained potential for C60", Journal of Chemical Physics '''143''' 164509 (2015)]


	[[category: models]]		[[category: models]]
	[[category: Contains Jmol]]		[[category: Contains Jmol]]

Carl McBride: /* References */ Added a recent publication

2014-02-28T17:35:15Z

References: Added a recent publication

← Older revision		Revision as of 19:35, 28 February 2014
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	*[http://dx.doi.org/10.1063/1.473192 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)]		*[http://dx.doi.org/10.1063/1.473192 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)]
	*[http://dx.doi.org/10.1080/00268970902881979 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)]		*[http://dx.doi.org/10.1080/00268970902881979 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)]
			*[http://dx.doi.org/10.1063/1.4866451 Minkyu Kim, Jaeeon Chang and Stanley I. Sandler "Monte Carlo simulations for the free energies of C60 and C70 fullerene crystals by acceptance ratio method and expanded ensemble method", Journal of Chemical Physics '''140''' 084110 (2014)]


	[[category: models]]		[[category: models]]
	[[category: Contains Jmol]]		[[category: Contains Jmol]]

Carl McBride: Reverted edits by 70.135.118.126 (talk) to last revision by Carl McBride

2012-01-04T14:31:51Z

Reverted edits by 70.135.118.126 (talk) to last revision by Carl McBride

← Older revision		Revision as of 16:31, 4 January 2012
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	[[category: models]]		[[category: models]]
	[[category: Contains Jmol]]		[[category: Contains Jmol]]
	~~[http://www.prlog.org/11289974-phone-number-lookup-verizon-phone-number-reverse-lookup-to-get-information-you-need-quickly.html phone address lookup]~~

	~~[http://thetvtopc.com/Reverse_Cell_Phone_Lookup_Number reverse phone number lookup]~~

70.135.118.126 at 05:57, 4 January 2012

2012-01-04T05:57:30Z

← Older revision		Revision as of 07:57, 4 January 2012
Line 36:		Line 36:
	[[category: models]]		[[category: models]]
	[[category: Contains Jmol]]		[[category: Contains Jmol]]
			[http://www.prlog.org/11289974-phone-number-lookup-verizon-phone-number-reverse-lookup-to-get-information-you-need-quickly.html phone address lookup]

			[http://thetvtopc.com/Reverse_Cell_Phone_Lookup_Number reverse phone number lookup]

Carl McBride at 12:00, 23 February 2011

2011-02-23T12:00:41Z

← Older revision		Revision as of 14:00, 23 February 2011
Line 16:		Line 16:

	where <math>N</math> is the number of atoms on each sphere, i.e. N=60.		where <math>N</math> is the number of atoms on each sphere, i.e. N=60.
			==Phase diagram==
			<ref>[http://dx.doi.org/10.1103/PhysRevLett.71.1200 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)]</ref>
			<ref>[http://dx.doi.org/10.1103/PhysRevB.50.1301 L. Mederos and G. Navascués "High-temperature phase diagram of the fullerene C60" Physical Review B '''50''' pp. 1301-1304 (1994)]</ref>
			<ref>[http://dx.doi.org/10.1063/1.479891 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)]</ref>
			<ref>[http://dx.doi.org/10.1063/1.3081140 Pedro Orea "Phase diagrams of model C60 and C70 fullerenes from short-range attractive potentials", Journal of Chemical Physics 130, 104703 (2009)]</ref>
			==Liquid phase==
			<ref>[http://dx.doi.org/10.1038/365425a0 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)]</ref>
	==Gel phase==		==Gel phase==
	Simulations of the Girifalco potential indicate a possible [[Gels\|gel]] composed solely of C<sub>60</sub> molecules <ref>[http://arxiv.org/abs/1102.2959 C. Patrick Royall, and Stephen R. Williams "C60: the first one-component gel?", arXiv:1102.2959v1 (cond-mat.soft) 15 Feb 2011)]</ref>		Simulations of the Girifalco potential indicate a possible [[Gels\|gel]] composed solely of C<sub>60</sub> molecules <ref>[http://arxiv.org/abs/1102.2959 C. Patrick Royall, and Stephen R. Williams "C60: the first one-component gel?", arXiv:1102.2959v1 (cond-mat.soft) 15 Feb 2011)]</ref>
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	<references/>		<references/>
	'''Related reading'''		'''Related reading'''
	*[http://dx.doi.org/10.1038/365425a0 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)]
	*[http://dx.doi.org/10.1103/PhysRevLett.71.1200 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)]
	*[http://dx.doi.org/10.1103/PhysRevB.50.1301 L. Mederos and G. Navascués "High-temperature phase diagram of the fullerene C60" Physical Review B '''50''' pp. 1301-1304 (1994)]
	*[http://dx.doi.org/10.1103/PhysRevB.51.3387 C. Caccamo "Modified-hypernetted-chain determination of the phase diagram of rigid C60 molecules", Physical Review B '''51''' pp. 3387-3390 (1995)]		*[http://dx.doi.org/10.1103/PhysRevB.51.3387 C. Caccamo "Modified-hypernetted-chain determination of the phase diagram of rigid C60 molecules", Physical Review B '''51''' pp. 3387-3390 (1995)]
	*[http://dx.doi.org/10.1103/PhysRevE.54.3928 M. Hasegawa and K. Ohno "Density functional theory for the phase diagram of rigid C60 molecules", Physical Review E '''54''' pp. 3928-3932 (1996)]		*[http://dx.doi.org/10.1103/PhysRevE.54.3928 M. Hasegawa and K. Ohno "Density functional theory for the phase diagram of rigid C60 molecules", Physical Review E '''54''' pp. 3928-3932 (1996)]
	*[http://dx.doi.org/10.1063/1.473192 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)]		*[http://dx.doi.org/10.1063/1.473192 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)]
	*[http://dx.doi.org/10.1063/1.479891 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)]
	*[http://dx.doi.org/10.1063/1.3081140 Pedro Orea "Phase diagrams of model C60 and C70 fullerenes from short-range attractive potentials", Journal of Chemical Physics 130, 104703 (2009)]
	*[http://dx.doi.org/10.1080/00268970902881979 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)]		*[http://dx.doi.org/10.1080/00268970902881979 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)]

Carl McBride at 11:58, 23 February 2011

2011-02-23T11:58:13Z

← Older revision		Revision as of 13:58, 23 February 2011
Line 1:		Line 1:
	'''C<sub>60</sub>''', also known as ''Buckminsterfullerene'' is composed of [[carbon]] atoms.		'''C<sub>60</sub>''', also known as ''Buckminsterfullerene'' is composed of [[carbon]] atoms.
	{{Jmol_general\|C60.pdb\|C<sub>60</sub>}}		{{Jmol_general\|C60.pdb\|C<sub>60</sub>}}
	===Girifalco potential===		==Models==
			====Girifalco potential====
	The Girifalco [[intermolecular pair potential]] is given by <ref>[http://dx.doi.org/10.1021/j100181a061 L. A. Girifalco "Molecular properties of fullerene in the gas and solid phases", Journal of Physical Chemistry '''96''' pp. 858-861 (1992)]</ref> (Eq. 4):		The Girifalco [[intermolecular pair potential]] is given by <ref>[http://dx.doi.org/10.1021/j100181a061 L. A. Girifalco "Molecular properties of fullerene in the gas and solid phases", Journal of Physical Chemistry '''96''' pp. 858-861 (1992)]</ref> (Eq. 4):

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	where <math>N</math> is the number of atoms on each sphere, i.e. N=60.		where <math>N</math> is the number of atoms on each sphere, i.e. N=60.
	==Gel phase==		==Gel phase==
	Simulations of the Girifalco potential indicate a possible [[Gels\|gel]] composed solely of C<sub>60</sub> molecules <ref>[http://arxiv.org/abs/1102.2959 C. Patrick Royall, and Stephen R. Williams "C60: the first one-component gel?", arXiv:1102.2959v1 [cond-mat.soft] 15 Feb 2011)]</ref>		Simulations of the Girifalco potential indicate a possible [[Gels\|gel]] composed solely of C<sub>60</sub> molecules <ref>[http://arxiv.org/abs/1102.2959 C. Patrick Royall, and Stephen R. Williams "C60: the first one-component gel?", arXiv:1102.2959v1 (cond-mat.soft) 15 Feb 2011)]</ref>
	==References==		==References==
	<references/>		<references/>

Carl McBride: Added mention of C60 gel

2011-02-23T11:56:25Z

Added mention of C60 gel

← Older revision		Revision as of 13:56, 23 February 2011
Line 15:		Line 15:

	where <math>N</math> is the number of atoms on each sphere, i.e. N=60.		where <math>N</math> is the number of atoms on each sphere, i.e. N=60.
			==Gel phase==
			Simulations of the Girifalco potential indicate a possible [[Gels\|gel]] composed solely of C<sub>60</sub> molecules <ref>[http://arxiv.org/abs/1102.2959 C. Patrick Royall, and Stephen R. Williams "C60: the first one-component gel?", arXiv:1102.2959v1 [cond-mat.soft] 15 Feb 2011)]</ref>
	==References==		==References==
	<references/>		<references/>

Nice and Tidy: /* References */ Added a newpaper.

2009-06-15T14:35:50Z

References: Added a newpaper.

← Older revision		Revision as of 16:35, 15 June 2009
Line 26:		Line 26:
	*[http://dx.doi.org/10.1063/1.479891 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)]		*[http://dx.doi.org/10.1063/1.479891 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)]
	*[http://dx.doi.org/10.1063/1.3081140 Pedro Orea "Phase diagrams of model C60 and C70 fullerenes from short-range attractive potentials", Journal of Chemical Physics 130, 104703 (2009)]		*[http://dx.doi.org/10.1063/1.3081140 Pedro Orea "Phase diagrams of model C60 and C70 fullerenes from short-range attractive potentials", Journal of Chemical Physics 130, 104703 (2009)]
			*[http://dx.doi.org/10.1080/00268970902881979 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)]


	[[category: models]]		[[category: models]]
	[[category: Contains Jmol]]		[[category: Contains Jmol]]