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Combined Description of the Equation of State and Diffusion Coefficient of Liquid Water Using a Two-State Sanchez-Lacombe Approach. | LitMetric

Combined Description of the Equation of State and Diffusion Coefficient of Liquid Water Using a Two-State Sanchez-Lacombe Approach.

Molecules

Department of Mathematical and Computational Science, Physics Science and Earth Science, University of Messina, 98166 Messina, Italy.

Published: March 2023

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 < < 360 K; 0 < < 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 . 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.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10059819PMC
http://dx.doi.org/10.3390/molecules28062560DOI Listing

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