Thermodynamic properties of water from SAFT and CPA equations of state: A comprehensive assessment

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388998%3A_____%2F22%3A00559855" target="_blank" >RIV/61388998:_____/22:00559855 - isvavai.cz</a>

Alternative codes found

RIV/67985858:_____/22:00559855 RIV/60461373:22340/22:43924911 RIV/44555601:13440/22:43897241

Result on the web

<a href="https://hdl.handle.net/11104/0333038" target="_blank" >https://hdl.handle.net/11104/0333038</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.molliq.2022.119769" target="_blank" >10.1016/j.molliq.2022.119769</a>

Result language

angličtina

Original language name

Thermodynamic properties of water from SAFT and CPA equations of state: A comprehensive assessment

Original language description

The performance of eight versions of the representative and most commonly used Statistical-AssociationFluid-Theory (SAFT) equations of state for water along with the Cubic-Plus-Association (CPA) equation are examined in detail both throughout the entire liquid phase region and at supercritical conditions. In addition to the temperature-pressure dependence of density, the fundamental response functions, namely, isothermal compressibility, isobaric expansivity, and isobaric heat capacity, have been evaluated and compared with experimental data along five isobars from P = 0:1 MPa up to 1000 MPa, and along four isotherms within the range from 300 K to 750 K. It turns out that to draw a general conclusion on the quality and accuracy of these equations (for pure water) is practically impossible with different equations reproducing reasonably well different properties and at different thermodynamic conditions but failing in other instances. In general, the equations seem to be able to capture simple pressure dependence at isothermal conditions but fail primarily in estimating isobaric properties. All the equations tend to perform reasonably well at pressures above the critical one where the excluded volume begins to predominate and the effect of hydrogen bonding becomes insignificant, but fail again at very high pressures, and have the most serious problems with predicting the residual isobaric heat capacity. The most successful results are obtained from the recently developed Association Dependent PC-SAFT equation, which can be mainly attributed to its fitting using a broader set of experimental data compared to other equations, nonetheless, its performance still cannot be considered as overall reliable.

Czech name

—

Czech description

—

Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

—

OECD FORD branch

20303 - Thermodynamics

Project

Result was created during the realization of more than one project. More information in the Projects tab.

Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2022

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Journal of Molecular Liquids

ISSN

0167-7322

e-ISSN

1873-3166

Volume of the periodical

362

Issue of the periodical within the volume

Sep 15

Country of publishing house

NL - THE KINGDOM OF THE NETHERLANDS

Number of pages

17

Pages from-to

119769

UT code for WoS article

000831695900004

EID of the result in the Scopus database

2-s2.0-85134335197