The question of whether the known virial coefficients are enough to determine the packing fraction η∞ at which the fluid equation of state of a hard-sphere fluid diverges is addressed. It is found that the information derived from the direct Padé approximants to the compressibility factor constructed with the virial coefficients is inconclusive. An alternative approach is proposed which makes use of the same virial coefficients and of the equation of state in a form where the packing fraction is explicitly given as a function of the pressure. The results of this approach both for hard-disk and hard-sphere fluids, which can straightforwardly accommodate higher virial coefficients when available, lends support to the conjecture that η∞ is equal to the maximum packing fraction corresponding to an ordered crystalline structure.
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28 February 2011
Research Article|
February 23 2011
On the relation between virial coefficients and the close-packing of hard disks and hard spheres
Miguel Ángel G. Maestre;
Miguel Ángel G. Maestre
a)
1Departamento de Física,
Universidad de Extremadura
, Badajoz 06071, Spain
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Andrés Santos;
Andrés Santos
b)
1Departamento de Física,
Universidad de Extremadura
, Badajoz 06071, Spain
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Miguel Robles;
Miguel Robles
c)
2Centro de Investigación en Energía,
Universidad Nacional Autónoma de México (U.N.A.M.)
, Temixco, Morelos 62580, Mexico
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Mariano López de Haro
Mariano López de Haro
d)
2Centro de Investigación en Energía,
Universidad Nacional Autónoma de México (U.N.A.M.)
, Temixco, Morelos 62580, Mexico
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a)
Electronic mail: [email protected].
b)
Electronic mail: [email protected]. URL: www.unex.es/eweb/fisteor/andres/.
c)
Electronic mail: [email protected]. URL: http://xml.cie.unam.mx/xml/tc/ft/mrp/.
d)
Electronic mail: [email protected]. URL: http://xml.cie.unam.mx/xml/tc/ft/mlh/.
J. Chem. Phys. 134, 084502 (2011)
Article history
Received:
December 22 2010
Accepted:
February 03 2011
Citation
Miguel Ángel G. Maestre, Andrés Santos, Miguel Robles, Mariano López de Haro; On the relation between virial coefficients and the close-packing of hard disks and hard spheres. J. Chem. Phys. 28 February 2011; 134 (8): 084502. https://doi.org/10.1063/1.3558779
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