Sulfur containing compounds (SCC) in fuel oil is now becoming a worldwide concern as it
released sulfur dioxide, a toxic molecule which give detrimental impact towards human and …

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

Although ionic liquids (ILs) have been widely explored as solvents for extractive
desulfurization (EDS) of fuel oils, systematic studying of the optimal design of ILs for this …

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) …

Although deep eutectic solvents (DESs) have attracted significant interest in various
separation processes, rational methods guiding task-specific DES selection are still scarce …

Pentanediamine (PDA) produced by biological fermentation becomes popular, but the
separation of PDA from the broth is a typical difficult problem. In this work, the performance …

For the selection of industrially suitable ionic liquids (ILs) as extraction solvents, a systematic
method combining phase equilibrium calculation, physical property prediction, and process …

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 …

Screening deep eutectic solvent (DES) is significant for separation process, due to its large
number of potential combinations. In this work, 49 DESs were screened for the extractive …

A deep learning (DL) method for quickly predicting surface charge density profiles (σ-profile)
and cavity volumes (V COSMO) of molecules for the COSMO-SAC model is developed. The …