Phase stability of fluid hard-sphere mixtures interacting through an attractive Yukawa tail
- 1 October 1986
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 34 (4) , 3279-3287
- https://doi.org/10.1103/physreva.34.3279
Abstract
The mean spherical approximation has been applied to study both the thermodynamical and structural properties of fluid hard-sphere mixtures interacting through an attractive Yukawa tail. The solution scheme is the same as the one previously adopted by the authors for the case of hard-sphere mixtures. The problem of phase stability is more specifically treated in the paper. In the absence of computer simulation results to compare the theory with, reference is made to Monte Carlo calculations for Lennard-Jones (LJ) potentials, performed by other authors, and to experimental results for an Ar-Kr mixture in the fluid phase. A procedure is described which allows us to mimic these two different systems in terms of a proper adjustment of the parameters specifying the Yukawa potential, and of the diameter ratio of the hard spheres. The theory is able to locate the boundary of the phase stability for the LJ mixture rather accurately, and in good agreement with the computer simulation results. It also predicts pressure-concentration phase diagrams which reproduce all the qualitative features of the experimental data for the noble-gas mixture. Due to the simplicity of the solution scheme, one can explore the behavior of the system in a wide range of concentrations, potential strengths, and diameter ratios. It is thus possible to determine how the phase instability temperature depends on these parameters and to discuss the general conditions under which phase separation can take place.Keywords
This publication has 29 references indexed in Scilit:
- Static and dynamic cross correlation in thermodynamically stable and unstable mixturesMolecular Physics, 1984
- Free energy of mixing, phase stability, and local composition in Lennard-Jones liquid mixturesThe Journal of Chemical Physics, 1982
- Molecular dynamics studies of Lennard-Jones liquid mixtures. V. Local composition in several kinds of equimolar mixtures with different combining ruleThe Journal of Chemical Physics, 1979
- The radial distribution function in fluid mixtures: Conformal solution theory and molecular dynamics resultsMolecular Physics, 1974
- Perturbation theory for mixtures of simple liquidsMolecular Physics, 1973
- Distribution functions of multi-component fluid mixtures of hard spheresMolecular Physics, 1972
- NpT-ensemble Monte Carlo calculations for binary liquid mixturesMolecular Physics, 1972
- The thermodynamic properties of mixtures of Lennard-Jones (12–6) liquidsMolecular Physics, 1970
- Monte Carlo Equation of State for a Mixture of Hard SpheresThe Journal of Chemical Physics, 1965
- Thermodynamic properties of mixtures of hard sphere molecules by Monte Carlo methodsTransactions of the Faraday Society, 1963