Photo by patrickltr from unsplash
Abstract The structural properties of two different deep eutectic solvents (DESs), namely a 1:2 mixture of choline chloride and urea and a 1:2 mixture of butyltrimethylammonium chloride and urea, have… Click to show full abstract
Abstract The structural properties of two different deep eutectic solvents (DESs), namely a 1:2 mixture of choline chloride and urea and a 1:2 mixture of butyltrimethylammonium chloride and urea, have been investigated by means of Molecular Dynamics simulations. The presence or not of a hydroxyl group on the organic cation has been found to strongly affect the DES hydrogen bond network, giving rise to a different three dimensional arrangement of all the species present in the mixtures. These findings can have important implications in the future development of DESs for specific applications.
Journal Title: Chemical Physics Letters
Year Published: 2019
Link to full text (if available)
Share on Social Media: Sign Up to like & get
recommendations!