Prediction of ionic liquids phase equilibrium with the COSMO-RS model

M Wlazło, EI Alevizou, EC Voutsas, U Domańska - Fluid Phase Equilibria, 2016 - Elsevier
Unlimited number of permutations with respect to cation and anion combinations of ionic
liquids as well as large number of existed azeotropic mixtures cause experimentally …

Overview of the liquid–liquid equilibria of ternary systems composed of ionic liquid and aromatic and aliphatic hydrocarbons, and their modeling by COSMO-RS

AR Ferreira, MG Freire, JC Ribeiro… - Industrial & …, 2012 - ACS Publications
Many separation processes in petrochemical and refining industries are applied to close
boiling point compounds and/or azeotropic mixtures which make difficult the application of …

Liquid–liquid equilibrium for ionic liquid systems using COSMO‐RS: Effect of cation and anion dissociation

T Banerjee, KK Verma, A Khanna - AIChE journal, 2008 - Wiley Online Library
Ionic liquids with their limitless combination of cations and anions can offer an optimal
solvent for a specific purpose. But not all corresponding experimental studies are possible …

COSMO-RS as a tool for property prediction of IL mixtures—A review

M Diedenhofen, A Klamt - Fluid Phase Equilibria, 2010 - Elsevier
In its first applications to ionic liquids the COSMO-RS method has shown to yield good
qualitative and satisfying quantitative predictions for the activity coefficients of neutral …

Evaluation of COSMO-RS model in binary and ternary mixtures of natural antioxidants, ionic liquids and organic solvents

EI Alevizou, EC Voutsas - Fluid Phase Equilibria, 2014 - Elsevier
Cinnamic acid derivatives are natural antioxidants with increasing interest and application
trend by the food, pharmaceutical and cosmetics industries, which create a wide research …

Evaluation of COSMO-RS for the prediction of LLE and VLE of water and ionic liquids binary systems

MG Freire, SPM Ventura, LM Santos, IM Marrucho… - Fluid Phase …, 2008 - Elsevier
Ionic liquids (ILs) have achieved special and dedicated attention from the scientific
community in recent years and a large number of studies involving different features of …

Extensive evaluation of the conductor-like screening model for real solvents method in predicting liquid–liquid equilibria in ternary systems of ionic liquids with …

K Paduszyński - The Journal of Physical Chemistry B, 2018 - ACS Publications
A conductor-like screening model for real solvents (COSMO-RS) is nowadays one of the
most popular and commonly applied tools for the estimation of thermodynamic properties of …

Evaluation of COSMO-RS for the prediction of LLE and VLE of alcohols+ ionic liquids

MG Freire, LM Santos, IM Marrucho, JAP Coutinho - Fluid Phase Equilibria, 2007 - Elsevier
The huge number of possible combinations of binary mixtures of alcohols and ionic liquids
(ILs) make the exhaustive measurement of all these systems impracticable requiring the use …

An overview of the performance of the COSMO-RS approach in predicting the activity coefficients of molecular solutes in ionic liquids and derived properties at infinite …

K Paduszyński - Physical Chemistry Chemical Physics, 2017 - pubs.rsc.org
This paper reports a comprehensive evaluation of the conductor-like screening model for
real solvents (COSMO-RS) in predicting infinite dilution activity coefficients (γ∞) of …

An overview of the liquid− liquid equilibria of (ionic liquid+ hydrocarbon) binary systems and their modeling by the conductor-like screening model for real solvents

AR Ferreira, MG Freire, JC Ribeiro… - Industrial & …, 2011 - ACS Publications
Ionic liquids (ILs), with their unique and tunable properties, are attracting the interest of both
academia and refining companies as potential solvents for the extraction of specific …