DETERMINATION OF THE CRITICAL CONSOLUTION POINT OF A LENNARD-JONES MIXTURE THROUGH A THERMODYNAMICALLY SELF-CONSISTENT STRUCTURAL THEORY

We show that a structural theory of fluids embodying a thermodynamic consistency constraint can be solved up to extremely near the "critical" consolution point of a Lennard-Jones liquid mixture. The predicted thermodynamic quantities are in close agreement with molecular dynamics (MD) simulation data. The MD experiments also signal incipient segregation of the mixture in the thermodynamic region where the theoretically estimated concentration fluctuation correlations tend to diverge; the "critical" temperature is then accurately determined from the theory. Comparison with other structural liquid state theories, and a preliminary determination of the critical exponent-gamma, are also reported.