Predicting the Surface Tension of Deep Eutectic Solvents: A Step Forward in the Use of Greener Solvents.

ABSTRACT: Deep eutectic solvents (DES) are an important class of green solvents that have been developed as an alternative to toxic solvents. However, the large-scale industrial application of DESs requires fine-tuning their physicochemical properties. Among others, surface tension is one of such properties that have to be considered while designing novel DESs. In this work, we present the results of a detailed evaluation of Quantitative Structure-Property Relationships (QSPR) modeling efforts designed to predict the surface tension of DESs, following the Organization for Economic Co-operation and Development (OECD) guidelines. The data set used comprises a large number of structurally diverse binary DESs and the models were built systematically through rigorous validation methods, including 'mixtur

SUBMITTER: Halder AK 

PROVIDER: S-EPMC9370217 | biostudies-literature | 2022 Jul

REPOSITORIES: biostudies-literature