Simultaneous Correlation of Liquid−Liquid, Liquid−Solid, and Liquid−Liquid−Solid Equilibrium Data for Water + Organic Solvent + Salt Ternary Systems. Anhydrous Solid Phase

Abstract

The simultaneous correlation of liquid−liquid (LL), liquid−solid (LS), and LLS equilibrium data for four water + organic solvent (alcohol or acetone) + inorganic salt (NaCl) ternary systems at 25 °C has been carried out. First, the NRTL equation was used to formulate the excess Gibbs energy (G E), assuming nondissociation of the dissolved salt in the liquid phase. Afterward, a modification of the NRTL equation taking into account the ionic behavior of the solid (electrolyte-NRTL) was introduced into the simultaneous correlation of the equilibrium regions for the same systems. The binary parameters and the comparison of the experimental and calculated equilibrium data obtained with both the molecular and electrolyte models are presented in this work. The stability analysis based on the Gibbs energy function of mixing, together with the common tangent criteria have been used to validate the parameters calculated.

Correlation of the liquid–liquid equilibrium data for specific ternary systems with one or two partially miscible binary subsystems

“…(5)) between the NRTL parameters, deduced elsewhere [12], has also been used to ensure correct phase behavior among all the binary pairs involved in the ternary systems.…”

TernAPI program for the calculation of ternary phase diagrams with isolated miscibility gaps by the convex hull method

“…Also in our work a distortion of one-phased triangles from the convex hull projection was detected in the cases of H 2 O-(CH 3 ) 2 CO-NaCl system model from [46] T = 298.15 K and phenol-acetone-water system model from [20] at T = 329.65 K. It is remarkable that in [20] the diagrams were calculated by means of the convex hull method but no one-phased triangles distortion was reported.…”

GE Models and Algorithms for Condensed Phase Equilibrium Data Regression in Ternary Systems: Limitations and Proposals

“…In a previous work [60], we showed the representation of the conjugated A ij parameters (NRTL) for miscible and partially miscible pairs, which were clearly divided into two regions. In Fig.…”