Assessing the quality of SAFT equations for the vapor-liquid equilibrium of pure water

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F23%3A00572420" target="_blank" >RIV/67985858:_____/23:00572420 - isvavai.cz</a>
Alternative codes found
RIV/44555601:13440/23:43897598 RIV/60461373:22340/23:43928126
Result on the web
<a href="https://hdl.handle.net/11104/0343187" target="_blank" >https://hdl.handle.net/11104/0343187</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.molliq.2023.121414" target="_blank" >10.1016/j.molliq.2023.121414</a>

Result language
angličtina
Original language name
Assessing the quality of SAFT equations for the vapor-liquid equilibrium of pure water
Original language description
The family of eight representative (and most commonly used) SAFT equations of state for water and the cubic-plus-association equation are examined with respect to their ability to predict accurately the vapor-liquid equilibrium (VLE) of water. The problem originates from the fact that all these equations use only the experimental equilibrium liquid densities and pressures for the parameter evaluation. Consequently, when reproducing the VLE calculations once the parameters are evaluated, the equilibrium properties cannot be then determined accurately by the equations, in principle, because the computation involves also the omitted vapor density. In this contribution, the errors of the predicted equilibrium den-sities, orthobaric pressures, and related properties are determined and discussed. It turns out that even the properties used in the equations' parametrizations (pressure and liquid density) are not always repro-duced with acceptable accuracy, with average errors being around two percent and errors of the individ-ual data points exceeding in many cases even ten percent. Properties not included in the parametrization are then predicted with larger average errors, in general.
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
—
OECD FORD branch
20401 - Chemical engineering (plants, products)

Project
<a href="/en/project/GA20-06825S" target="_blank" >GA20-06825S: Application of ionic liquid as azeotrope breakers: Experiments, simulations, and modeling</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2023
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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