This review on continuum solvation models has been preceded in Chemical Reviews by
others addressing the same subject. They are due to Tomasi and Persico1 (published in …

The conductor-like screening model for realistic solvation (COSMO-RS) method has been
established as a novel way to predict thermophysical data for liquid systems and has …

Thermodynamic methods based on conductor-like screening models (COSMO) originated
from the use of solvation thermodynamics and computational quantum mechanics. These …

Group contribution methods, such as modified UNIFAC (Do) are powerful tools for the
reliable prediction of phase equilibria and excess properties, which are necessary …

Ionic Liquids ILs provide an important alternative in removing aromatic sulphur compounds
by Liquid–Liquid Extraction (LLE). A total of 28 anions and 6 cations resulting in 168 …

Computational prediction of limiting activity coefficients is of great relevance for process
design. For highly nonideal mixtures including molecules with directed interactions, methods …

For an adequate choice or design of ionic liquids, the knowledge of their interaction with
other solutes and solvents is an essential feature for predicting the reactivity and selectivity …

The quantum chemically based conductor-like screening model for realistic solvation
COSMO-RS is a rather general method for predicting the chemical potentials–and thus the …

Thermodynamic methods based on COSMO (COnductor-like Screening MOdels), such as
COSMO-RS (Real Solvent) and COSMO-SAC (Segment Activity Coefficient), represent …

Infinite-dilution activity coefficients (IDAC) can be used to predict, for example, the behavior
of liquid− liquid equilibrium or to determine parameters for excess Gibbs free energy …