On Padé approximants to virial series.
J Chem Phys
; 129(4): 044509, 2008 Jul 28.
Article
em En
| MEDLINE
| ID: mdl-18681662
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 B11=128.6 and B12=155 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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1
Coleções:
01-internacional
Base de dados:
MEDLINE
Tipo de estudo:
Prognostic_studies
Idioma:
En
Revista:
J Chem Phys
Ano de publicação:
2008
Tipo de documento:
Article
País de afiliação:
Brasil
País de publicação:
Estados Unidos