Isochores and Heat Capacity of Liquid Water in Terms of the Ion-Molecular Model

Int J Mol Sci. 2023 Mar 15;24(6):5630. doi: 10.3390/ijms24065630.

Abstract

Thermodynamics of liquid water in terms of a non-standard approach-the ion-molecular model-is considered. Water is represented as a dense gas of neutral H2O molecules and single charged H3O+ and OH- ions. The molecules and ions perform thermal collisional motion and interconvert due to ion exchange. The energy-rich process-vibrations of an ion in a hydration shell of molecular dipoles-well known to spectroscopists with its dielectric response at 180 cm-1 (5 THz), is suggested to be key for water dynamics. Taking into account this ion-molecular oscillator, we compose an equation of state of liquid water to obtain analytical expressions for the isochores and heat capacity.

Keywords: equation of state; heat capacity; isochores; liquid water; modeling.

MeSH terms

  • Hot Temperature
  • Ions
  • Isochores*
  • Models, Molecular
  • Water*

Substances

  • Water
  • Isochores
  • Ions

Grants and funding

This research received no external funding.