Equation of state of non-additive $d$-dimensional hard-sphere mixtures

Details Equation of state of non-additive $d$-dimensional hard-sphere mixtures Equation of state of non-additive $d$-dimensional hard-sphere mixtures

2004-09-16

arxiv.org/abs/cond-mat/0409430v2

J. Chem. Phys. 122, 024514 (2005)

Physics

Condensed Matter

Soft Condensed Matter

18 pages, 12 figures; minor changes; to be published in JCP

Scientific paper

10.1063/1.1832591

An equation of state for a multicomponent mixture of non-additive hard spheres in $d$ dimensions is proposed. It yields a rather simple density dependence and constitutes a natural extension of the equation of state for additive hard spheres proposed by us [A. Santos, S. B. Yuste, and M. L\'opez de Haro, Mol. Phys. 96, 1 (1999)]. The proposal relies on the known exact second and third virial coefficients and requires as input the compressibility factor of the one-component system. A comparison is carried out both to another recent theoretical proposal based on a similar philosophy and to the available exact results and simulation data in $d=1$, 2, and 3. Good general agreement with the reported values of the virial coefficients and of the compressibility factor of binary mixtures is observed, especially for high asymmetries and/or positive nonadditivities.

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