Properties of Hydrogen-Bonded Networks in Ethanol–Water Liquid Mixtures as a Function of Temperature: Diffraction Experiments and Computer Simulations

New X-ray and neutron diffraction experiments have been performed on ethanol-water mixtures as a function of decreasing temperature, so that such data are now available over the entire composition range. Extensive molecular dynamics simulations show all-atom interatomic potentials applied adequate for gaining insight hydrogen bonded network structure, well its changes cooling. Various tools exploited revealing details concerning bonding, like determining H-bond acceptor donor sites, calculating cluster size distributions topologies, computing Laplace spectra fractal dimensions networks. It is found 5-membered cycles dominant up to an ethanol content 70% at room above which concentration ring structures nearly disappear. Percolation has given special attention, it could be shown low close freezing point even mixture with 90% possesses 3D percolating network. Moreover, water sub-network also percolates percolation transition occurring around 50% ethanol.