Abstract

The examples of phase equilibria in binary systems, solid/liquid (SLE), liquid/liquid (LLE), vapor/liquid (VLE), as well as liquid/liquid equilibria in ternary systems mainly containing ionic liquids (ILs), or the infragrance materials, or pharmaceuticals with molecular organic solvents, such as an alcohol, or water, or hydrocarbons, are presented. The most popular correlation methods of the experimental phase equilibrium data are presented, related to the excess Gibbs free energy models such as Wilson, universal-quasichemical, UNIQUAC and non-random two-liquid model, NRTL as well as several popular theories for the modeling of the phase equilibria and excess molar enthalpy, HE in binary or ternary mixtures are presented: the group contribution method (Mod. UNIFAC) and modified UNIFAC model for pharmaceuticals and lattice theory based on non-random hydrogen bonding (NRHB). The SLE, LLE, or VLE and HE of these systems may be described by the Perturbed-Chain Polar Statistical Associating Fluid Theory (PC-SAFT), or a Conductor-like Screening Model for Real Solvents (COSMO-RS). The examples of the application of ILs as extractants for the separation of aromatic hydrocarbons from alkanes, sulfur compounds from alkanes, alkenes from alkanes, ethylbenzene from styrene, butan-1-ol from water phase, or 2-phenylethanol (PEA) from water are discussed on the basis of previously published data. The first information about the selectivity of extrahent for separation can be obtained from the measurements of the limiting activity coefficient measurements by the gas–liquid chromatography technique. This review outlines the main research work carried out over the last few years on direct measurements of phase equilibria, or HE and limiting activity coefficients, the possibility of thermodynamic modeling with emphasis on recent research achievements and potential for future research.

Highlights

  • Phase equilibria is fundamental knowledge to project new technology

  • The separation problem involves two molecular solutes to be separated and Ionic liquids (ILs) used as an entrainer, the solid/liquid equilibrium (SLE), or liquid/liquid equilibrium (LLE) and vapor/liquid (VLE) data in ternary systems comprising the IL and the solutes are always crucial for design and optimization of Processes 2019, 7, 277; doi:10.3390/pr7050277

  • The most convenient theories used for the modeling of the phase equilibria and HE have been presented by us: group contribution model

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Summary

Introduction

Phase equilibria is fundamental knowledge to project new technology. Ionic liquids (ILs) are new substances with specific physico-chemical properties used in catalysis, electrochemistry, new materials and with large extraction possibilities [1,2,3,4,5,6,7,8]. ILs useful for kinetic in the delivery in general experimental work has dealt with measurements of the SLE/LLE/VLE phase diagrams in ILs-based increasing of solubility of drugs in water [52,53,54]. Most of the ILs present LLE in binary systems with water, is typical for all ILs in mixtures with alcohols. Solvents used in our studies included: water and ethanol, which were typical media used for delivering of drugs; 1-octanol, which was a model compound of human cell and skin-membrane. All experimental data presented in this review, the experimental methods, theofuncertainties of phaseFigure equilibria, processes useful thermodynamic methods the correlation

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Correlation
Experimental
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Predictive Methods
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Separation in Ternary LLE Using COSMO-RS
Molecular Simulation as A Thermodynamic Tool
Findings
Summary and Future Perspective
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