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- Title
Combined Description of the Equation of State and Diffusion Coefficient of Liquid Water Using a Two-State Sanchez–Lacombe Approach.
- Authors
Ginzburg, Valeriy V.; Fazio, Enza; Corsaro, Carmelo
- Abstract
Water is one of the most important compounds on Earth, yet its material properties are still poorly understood. Here, we use a recently developed two-state, two-(time)scale (TS2) dynamic mean-field model combined with the two-state Sanchez–Lacombe (SL) thermodynamic theory in order to describe the equation of state (density as a function of temperature and pressure) and diffusivity of liquid water. In particular, it is shown that in a relatively wide temperature and pressure range (160 K < T < 360 K; 0 < P < 100 MPa), density and self-diffusion obey a special type of dynamic scaling, similar to the "τTV" scaling of Casalini and Roland, but with the negative exponent γ. The model predictions are consistent with experimental data. The new equation of state can be used for various process models and generalized to include multicomponent mixtures.
- Subjects
EQUATIONS of state; DIFFUSION coefficients; HEAT equation; WATER use; LIQUIDS; DYNAMIC models
- Publication
Molecules, 2023, Vol 28, Issue 6, p2560
- ISSN
1420-3049
- Publication type
Article
- DOI
10.3390/molecules28062560