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 …

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 …

Predicting enthalpies of vaporization of aprotic ionic liquids with COSMO-RS

B Schröder, JAP Coutinho - Fluid Phase Equilibria, 2014 - Elsevier
Enthalpies of vaporization of a large set of ionic liquids were predicted using the COSMO-
RS ion-pair approach, at T= 298.15 K. Comparison with currently available experimental …

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 …

Evaluation of the conductor-like screening model for real solvents for the prediction of the water activity coefficient at infinite dilution in ionic liquids

KA Kurnia, SP Pinho, JAP Coutinho - Industrial & Engineering …, 2014 - ACS Publications
Ionic liquids (ILs) have attracted great attention, from both industry and academia, as
alternative fluids for very different types of applications. The large number of cations and …

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 …

[HTML][HTML] Parameterization of COSMO-RS model for ionic liquids

J Han, C Dai, G Yu, Z Lei - Green Energy & Environment, 2018 - Elsevier
The adjustable parameters in the popular conductor-like screening model for real solvents
(COSMO-RS) within the Amsterdam density functional (ADF) framework have been re …

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 …

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 …

Overview of activity coefficient of thiophene at infinite dilution in ionic liquids and their modeling using COSMO-RS

P Matheswaran, CD Wilfred, KA Kurnia… - Industrial & …, 2016 - ACS Publications
Ionic liquids (ILs) gained a lot of attention, from both academe and industry, as alternative
liquids for different types of applications. Chemical and physical characteristics can be …