I used CPA EOS for this purpose but it does not support the calculations for LLE. I search for a suitable calculations or EOS.
Use of large-scale particle theory
Pierott R. A. Chem Rev.. 1976.v.76. P.717.
Stillinger F.H. J. Solute. Chem. 1973.V.2 P141.
Best regards.
Dear Shahin
I propose "just" activity-based models such as NRTL or UNIQUAC.
Difinitly, the EOS's such as cubic or SAFT-based could not be able to give suitable results in the case of LLE systems.
Sincerely Yours
Reza
Dear Shahin,
I know that CPA is one of the best EoS that allow to correlate LLE. Other EoS like PC-SAFT is also a good choice. All LLE calculation for methanol, ethanol, water, glycole, ... are available with pure compounds parameters (published).
I think the only issue for you is the routine. I do not work with CPA, but you could start with a maths programming. Good luck.
Dear Shahin,
Both semiempirical and SAFT devired EOS ( as CPA) are suitable to describe Liquid-Liquid equilibria, since the Gibbs formulation of phase equilibria ( equality of chemical potential ) is applicable to any phase and implies the equality of fugacities between two or more phases:
1) the fugacity of a liquid phase could be calculated with an EOS (as long it used also in vapour Liquid equilibria ), furthermore with this approach there are not restrictions to low pressure ( while GE model are assumed pressure independent )
2) In the following article I found in literature "K.S. Pedersen, J. Milter, C.P. Rasmussen, Fluid Phase Equilib. 189 (2001)85–97" cubic/EOS-GE mixing rules models are applied to the description of Liquid–liquid equilibria of binary water–HC and MEG–HC systems
3) for the algorithm ( stability test and etc.) I think a reference suggested to me was : Michelsen, M. L. and Mollerup, J., "Thermodynamic models: Fundamentals and Computational Aspects"Tie Line Publications, Holte, Denmark, 2007
But perhaps your question is focusing on the possibility to describe the surface effects due to the different surface tension of the two liquids as introduced in the Gibbs work "Fundamental Equations for Surfaces of Discontinuity between Fluid Masses": work: https://en.wikisource.org/wiki/Scientific_Papers_of_Josiah_Willard_Gibbs,_Volume_1/Chapter_IIIb
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