SelinfDB: A Database of Selectivity at Infinite Dilution for Liquid–Liquid Extraction

One of the most acute health and environmental concerns nowadays is 3Rs (Reduce, Reuse, Recycle) organic solvents. The existing technology used for solvent separation either expensive or inefficient, particularly in case azeotrope separation. Ionic liquids (ILs) have already shown potential liquid–liquid extraction solvents due to their high structural variability. However, which IL will be efficient a particular task not always known, experimental screening selective ILs can time-consuming. preferable alternative use selectivity at infinite dilution (S?). In this study, database S? was developed by computationally processing activity coefficients from free available sources. compared values where possible, results show that there an ?80% chance “selective” IL, according S?, extraction. were analyzed with respect chemical classes components, showing quite difference translation. An example structure–property analysis given illustrate usefulness understanding effects structure on design new breaking two-component systems. SQL freely online intelligent search better extractants.