Journal ArticleDOI
Pseudo-potential model for hard sphere mixtures
TLDR
In this paper, the pseudo pair potential theory of mixtures developed by Salsburg was tested by carrying out Monte Carlo calculations for hard sphere systems of radius ratios 5 : 3 and 3 : 1 at low and moderate densities.Abstract:
The pseudo pair potential theory of mixtures developed by Salsburg1 has been tested by carrying out Monte Carlo calculations for hard sphere systems of radius ratios 5 : 3 and 3 : 1 at low and moderate densities. Comparison between the results obtained by use of the pseudo-potential model with those obtained earlier by direct Monte Carlo simulation studies2, 3 for such mixtures shows that the model is not a good approximation. An explanation of the observed discrepancies is proposed.read more
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Journal ArticleDOI
Machine Calculation of Thermodynamic Properties of a Simple Fluid at Supercritical Temperatures
I. R. McDonald,K. Singer +1 more
TL;DR: In this paper, a Monte Carlo method for the evaluation of equilibrium thermodynamic properties of a system of interacting particles is described, where the classical configurational partition function at a given density is calculated from the estimated value of the weight function γ(Φ), up to a factor that is independent of temperature.
Journal ArticleDOI
Perturbation Theory and the Equation of State of Mixtures of Hard Spheres
D. Henderson,J. A. Barker +1 more
TL;DR: The equation of state of a mixture of hard spheres of diameter σ11 and σ22 is evaluated by expanding the free energy of the mixture to second order in powers of the differences.