New manuscript in Scientific Reports (Nature Publishing Group)

Reza Haghbakhsh and Ana Rita C. Duarte from the DES Solve Research Group, LAQV, NOVA-ST, Portugal in collaboration with Sona Raeissi from Shiraz University, Iran have just published in the prestigious journal Scientific Reports, from Nature Publishing Group, a new manuscript on:

Group contribution and atomic contribution models for the prediction of various physical properties of deep eutectic solvents

As research and applications are inevitably dependent on knowledge of physical properties, it is of paramount importance to have generalized models to predict such properties. This is of even greater value for DESs since they are “designer solvents” and numerous new DESs will be envisioned and prepared in the future. For this reason, in this manuscript, we present, for the very first time in literature, two very simple yet global group contribution and atomic contribution models that are not only suitable for estimations, but we have also shown that they are powerful in predictions. Therefore, they can even be used as screening tools for the selection of the most suitable DESs in future research. This will be invaluable in DES research namely to researchers in need of the physical properties of current and new DESs.

 Manuscript available at: