Fig. 5
From: On the origin of the extremely different solubilities of polyethers in water
FF-MD Radial distribution functions of water H atoms around the solute’s middle O atom. For PEG3, the radial distribution function has a hydration peak, which is absent for POM3. Simulation of POM3 with O charges similar to PEG3 recovers the solvent hydration structure (green curve). Inset: DFT-MD results for comparison
