S. Toxvaerd et E. Velasco, PHASE-STABILITY LINES, SPINODALS AND DISTRIBUTION-FUNCTIONS FOR BINARY IMMISCIBLE MIXTURES, Molecular physics, 86(4), 1995, pp. 845-855
The phase-stability lines, the spinodals and the pair distribution fun
ctions for simple binary immiscible mixtures obtained from perturbatio
n theory are improved by using Guggenheim's quasichemical approximatio
n. The stability lines are compared with Gibbs ensemble simulations fo
r corresponding systems of coexisting bulk phases. The quasichemical a
pproximation is found to lead to a quantitative agreement with the Gib
bs ensemble data, for three-dimensional as well as two-dimensional sys
tems, away from the critical regions. The analytical quasichemical cor
rections to the pair distribution functions show a significant change
in distribution, especially for the solute-solute particle distributio
n. The results are used to characterize the phase growth.