Deep eutectic solvents (DESs) are low-freezing mixtures formed by hydrogen bond donor
(HBD) and acceptor (HBA). The change of HBA and HBD type or their ratio gives rise to a …

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

This work presents the development of molecular-based mathematical model for the
prediction of CO 2 solubility in deep eutectic solvents (DESs). First, a comprehensive …

Ionic liquids (ILs) are important solvents for sustainable processes and predicting activity
coefficients (ACs) of solutes in ILs is needed. Recently, matrix completion methods (MCMs) …

Considering the great potential of deep eutectic solvents (DESs) for CO2 capture, this work
studies the CO2 solubility in DESs by combining experimental measurement and molecular …

For the ionic liquid (IL)‐solute systems of broad interest, a deep neural network based
recommender system (RS) for predicting the infinite dilution activity coefficient (γ∞) is …

Computer-Aided Molecular Design (CAMD) enables the automated exploration of chemical
space and thus offers great possibilities for efficient design of chemical products. The key to …

Solvents are widely used in chemical industries, especially in various separation processes.
As traditional trial-and-error solvent selection is time-consuming and expensive, model …

Ionic liquids (ILs) are promising alternative compounds that enable the development of
technologies based on their unique properties as solvents or catalysts. These technologies …

Predictive molecular thermodynamic models can bridge the gap between the microscopic
molecular level and macroscopic system scale. Over the past few decades, ionic liquids …