pH and H-bonding energy for pure water

[Display omitted] •The dissociation of water molecules is mainly caused by binary collisions.•Dissociation energy in liquid water is identified with the H-bonding energy in it.•The density dependence of the dissociation energy is taken into account.•This approach makes it possible to reproduce exper...

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Veröffentlicht in:Chemical physics letters 2023-10, Vol.828, p.140713, Article 140713
Hauptverfasser: Khorolskyi, Oleksii, Malomuzh, Nikolay P.
Format: Artikel
Sprache:eng
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Zusammenfassung:[Display omitted] •The dissociation of water molecules is mainly caused by binary collisions.•Dissociation energy in liquid water is identified with the H-bonding energy in it.•The density dependence of the dissociation energy is taken into account.•This approach makes it possible to reproduce experimental pH values of liquid water. This paper is devoted to the estimation of pH for pure water. We assume that the dissociation of water molecules is mainly caused by binary high energetic collisions. The dissociation energy in liquid water is identified with the energy of H-bonding. The density dependence of the dissociation energy TD is described. It is shown that this dependence allows to successfully reproduce the experimental values of pH up to the boiling temperature.
ISSN:0009-2614
1873-4448
DOI:10.1016/j.cplett.2023.140713