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Fluid-phase diagrams of binary mixtures from constant pressure integral equations

Authors :
R. Santin
Giorgio Pastore
Francesco Colonna
Srabani Taraphder
Source :
The Journal of chemical physics. 122(18)
Publication Year :
2005

Abstract

A new algorithm for solving integral equations of the theory of liquids at fixed pressure is introduced. Combining this technique with the Lee’s star function approximation for the chemical potentials, we obtain an efficient method to investigate fluid-phase diagrams of binary mixtures. We have tested the capabilities of such technique to study symmetric and asymmetric phase diagrams in nonadditive hard spheres and Lennard-Jones mixtures. We find that the integral equation theories, although approximate, can provide a flexible tool to determine the fluid-phase diagrams whose accuracy is critically dependent on the quality of the closure and of the resulting chemical potentials.

Details

ISSN :
00219606
Volume :
122
Issue :
18
Database :
OpenAIRE
Journal :
The Journal of chemical physics
Accession number :
edsair.doi.dedup.....7f382e097b7c095c9cc460a4bdcc188a