Fig. 4: Simulated mixtures to investigate the nature of DES interactions.
From: Estimating the phase diagrams of deep eutectic solvents within an extensive chemical space
The number of H-bonds in a Mixture 2996, c Mixture 2650, and e Mixture 171. The simulation box containing a total of 1000 molecules at the initial (t = 0 ns) and final time (t = 10 ns) is shown in the inset. The mixtures were simulated according to the \({x}_{E}\) and \({T}_{E}\) values. The RDF of b Mixture 2996, d Mixture 2650, and f Mixture 171. The inset shows an enlargement of the values from 0.09–0.19 nm. Source data are provided as a Source Data file.
