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

0552554 - ÚCHP 2023 RIV NL eng J - Journal Article
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
Institutional support: RVO:67985858
Keywords : equation of state * primitive models of water * short-range reference fluid
OECD category: Physical chemistry
Impact factor: 2.8, year: 2022
Method of publishing: Open access with time embargo

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.
Permanent Link: http://hdl.handle.net/11104/0327662