DOI:10.5488/CMP.15.23004 arXiv:1207.3259
Title:
On extrapolation of virial coefficients of hard spheres
Author(s):
| M. Ončák (Institute of Chemical Technology, Prague, Department of Physical Chemistry, 16628 Praha 6, Czech Republic) , | |
| A. Malijevský (Institute of Chemical Technology, Prague, Department of Physical Chemistry, 16628 Praha 6, Czech Republic, Department of Physics, Faculty of Science, University of Ostrava, 701 03 Ostrava 1, Czech Republic) , | |
| J. Kolafa (Institute of Chemical Technology, Prague, Department of Physical Chemistry, 16628 Praha 6, Czech Republic) , | |
| S. Labík (Institute of Chemical Technology, Prague, Department of Physical Chemistry, 16628 Praha 6, Czech Republic) |
Several methods of extrapolating the virial coefficients, including those proposed in this work, are discussed. The methods are demonstrated on predicting higher virial coefficients of one-component hard spheres. Estimated values of the eleventh to fifteenth virial coefficients are suggested. It has been speculated that the virial coefficients, Bn, beyond B14 may decrease with increasing n, and may reach negative values at large n. The extrapolation techniques may be utilized in other fields of science where the art of extrapolation plays a role.
Key words:
hard spheres, virial coefficients, extrapolation methods
PACS:
02.30.-f, 51.30.+i
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