Equilibrium thermodynamic properties of binary hard-sphere mixtures from integral equation theory
DOI:
https://doi.org/10.5564/pmas.v65i01.4202Keywords:
Ornstein-Zernike equation, Martynov-Sarkisov closure, Pair correlation functionsAbstract
The binary additive hard-sphere mixtures have been studied by the Ornstein-Zernike integral equation coupled with the Martynov-Sarkisov (MS) closure approximation. Virial equation of state is computed in the MS approximation. The excess chemical potential for the mixture is evaluated with a closed-form expression based on correlation functions. The excess Helmholtz free energy is obtained using the Euler relation of thermodynamics. Moreover, these thermodynamic quantities are obtained by the Boublík-Mansoori-Carnahan-Starling-Leland (BMCSL) formulas. Our findings for pressure and excess chemical potential for the number of binary sets of the mixtures from the MS approximation show good agreements with those findings obtained by the BMCSL formulas and available data in literature, having a maximum deviation of 5% for a packing fraction up to 0.5. The maximum deviation of the excess free energy obtained for the mixtures is shown to be ~16% for a packing fraction of 0.5. Note that this work presents an initial calculation of an excess chemical potential of the system in the MS approximation.
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