English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Tools annual

Global: Zendy Free Plan

Global: Zendy Tools monthly

Global: Zendy Plus monthly

New X-ray and neutron diffraction experiments have been performed onethanol-water mixtures as a function of decreasing temperature, so that suchdiffraction data are now available over the entire composition range. Extensivemolecular dynamics simulations show that the all-atom interatomic potentialsapplied are adequate for gaining insight of the hydrogen bonded networkstructure, as well as of its changes on cooling. Various tools have beenexploited for revealing details concerning hydrogen bonding, like determiningH-bond acceptor and donor sites, calculating cluster size distributions andcluster topologies, as well as computing the Laplace spectra and fractaldimensions of the networks. It is found that 5-membered hydrogen bonded cyclesare dominant up to an ethanol content of 70% at room temperature, above whichconcentration ring structures nearly disappear. Percolation has been givenspecial attention, so that it could be shown that at low temperature, close tothe freezing point even the mixture with 90% ethanol possesses a 3D percolatingnetwork. Moreover, the water sub-network also percolates even at roomtemperature, with a percolation transition occurring around 50% ethanol.

the journal of physical chemistry. b

Properties of hydrogen bonded network in ethanol-water liquid mixtures  as a function of temperature: diffraction experiments and computer  simulations