PHASE-STABILITY LINES, SPINODALS AND DISTRIBUTION-FUNCTIONS FOR BINARY IMMISCIBLE MIXTURES

Citation
S. Toxvaerd et E. Velasco, PHASE-STABILITY LINES, SPINODALS AND DISTRIBUTION-FUNCTIONS FOR BINARY IMMISCIBLE MIXTURES, Molecular physics, 86(4), 1995, pp. 845-855
Citations number
24
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00268976
Volume
86
Issue
4
Year of publication
1995
Pages
845 - 855
Database
ISI
SICI code
0026-8976(1995)86:4<845:PLSADF>2.0.ZU;2-3
Abstract
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.