Virial coefficients, thermodynamic properties, and fluid-fluid transition of nonadditive hard-sphere mixtures

Details Virial coefficients, thermodynamic properties, and fluid-fluid transition of nonadditive hard-sphere mixtures Virial coefficients, thermodynamic properties, and fluid-fluid transition of nonadditive hard-sphere mixtures

2009-12-29

arxiv.org/abs/0912.5378v2

J. Chem. Phys. 132, 204506 (2010)

Physics

Condensed Matter

Soft Condensed Matter

13 pages, 11 figures; v2: slight change of title, 2 new figures, new subsection on demixing added

Scientific paper

10.1063/1.3429600

Different theoretical approaches for the thermodynamic properties and the equation of state for multicomponent mixtures of nonadditive hard spheres in $d$ dimensions are presented in a unified way. These include the theory by Hamad, our previous formulation, the original MIX1 theory, a recently proposed modified MIX1 theory, as well as a nonlinear extension of the MIX1 theory proposed in this paper. Explicit expressions for the compressibility factor, Helmholtz free energy, and second, third, and fourth virial coefficients are provided. A comparison is carried out with recent Monte Carlo data for the virial coefficients of asymmetric mixtures and with available simulation data for the compressibility factor, the critical consolute point, and the liquid-liquid coexistence curves. The merits and limitations of each theory are pointed out.

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