Padé approximants have long been used to predict virial series coefficients and to provide equations of state for low and high density materials. However, some justified criticism has appeared about this procedure. Although we agree to impose several restrictions on the use of Padé approximants, we indicate that the Padé approximant is still an excellent way to predict the first unknown virial series coefficients. As an example, we report a calculation of the and virial coefficients of the three dimensional hard sphere model that are in excellent agreement with the two most recent estimates. We also consider that the commonly used method to choose among Padé approximants is not completely reliable for this specific application and suggest an alternative new method.
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28 July 2008
Research Article|
July 30 2008
On Padé approximants to virial series
André O. Guerrero;
André O. Guerrero
Instituto de Química,
Universidade Estadual de Campinas-UNICAMP
, C.P. 6154, 13084-862 Campinas, Sao Paulo, Brazil
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Adalberto B. M. S. Bassi
Adalberto B. M. S. Bassi
a)
Instituto de Química,
Universidade Estadual de Campinas-UNICAMP
, C.P. 6154, 13084-862 Campinas, Sao Paulo, Brazil
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a)
Electronic mail: bassi@iqm.unicamp.br.
J. Chem. Phys. 129, 044509 (2008)
Article history
Received:
December 10 2007
Accepted:
June 24 2008
Citation
André O. Guerrero, Adalberto B. M. S. Bassi; On Padé approximants to virial series. J. Chem. Phys. 28 July 2008; 129 (4): 044509. https://doi.org/10.1063/1.2958914
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