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

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

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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.

Short-range reference fluidPrimitive models of waterEquation of stateThermodynamic perturbation theoryMOLECULAR-BASED EQUATIONSASSOCIATING FLUIDSLIQUIDFORCESMODELS

Nezbeda, I.

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Czech Acad Sci

2022

Chemical Physics Letters

Chemical Physics Letters

EISCI
ISSN:0009-2614
年,卷(期):2022.790
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