On a flaw in the development of simple(primitive)-model-based equations of state for water.

0552554 - ÚCHP 2023 RIV NL eng J - Článek v odborném periodiku
Nezbeda, Ivo
On a flaw in the development of simple(primitive)-model-based equations of state for water.
Chemical Physics Letters. Roč. 790, Mar 2022 (2022), č. článku 139332. ISSN 0009-2614. E-ISSN 1873-4448
Institucionální podpora: RVO:67985858
Klíčová slova: equation of state * primitive models of water * short-range reference fluid
Obor OECD: Physical chemistry
Impakt faktor: 2.8, rok: 2022
Způsob publikování: Open access s časovým embargem

The crucial step in any perturbation theory of fluids, an accurate description of the reference fluid, is analyzed. The theory employs, for water, simple models which capture the phenomenon of hydrogen bonding but which should also describe accurately the thermodynamic behavior of the reference. It appears that these simple models are not able to estimate simultaneously the internal energy and pressure which may also be the reason why all attempts to develop a perturbed equation of state for water valid for various thermodynamic properties over a wide range of thermodynamic conditions have failed so far.
Trvalý link: http://hdl.handle.net/11104/0327662