The unique physicochemical properties, flexible structural tunability, and giant chemical
space of ionic liquids (ILs) provide them a great opportunity to match different target …

Condensable gases are the sum of condensable and volatile steam or organic compounds,
including water vapor, which are discharged into the atmosphere in gaseous form at …

The conductor‐like screening model COSMO, a variant of the dielectric continuum solvation
models, has become very popular due to its algorithmic simplicity, numerical stability, and its …

The accurate prediction of physicochemical properties of condensed systems is a
longstanding goal of theoretical (quantum) chemistry. Ionic liquids comprising entirely of …

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 …

Extractive distillation is commonly used for the separation of azeotropic or close‐boiling
mixtures in the chemical industry. During the past decade, the use of ionic liquids (ILs) as …

The conductor‐like screening model COSMO, a variant of the dielectric continuum solvation
models, has become very popular due to its algorithmic simplicity, numerical stability, and its …

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 …

The SIMPOL. 1 group contribution method is developed for predicting the liquid vapor
pressure po L (atm) and enthalpy of vaporization Δ H vap (kJ mol-1) of organic compounds …

A screening method is proposed for the molecular design of ionic liquids (ILs) to capture
carbon dioxide (CO2), which can reduce efficiently the necessary experimental efforts. The …