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

Kód výsledku v 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>

Nalezeny alternativní kódy

RIV/44555601:13440/23:43897598 RIV/60461373:22340/23:43928126

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

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

Popis výsledku anglicky

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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

20401 - Chemical engineering (plants, products)

Projekt

<a href="/cs/project/GA20-06825S" target="_blank" >GA20-06825S: Využití iontových kapalin k dělení azeotropních směsí: Experiment, simulace a modelování</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2023

Kód důvěrnosti údajů

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

Název periodika

Journal of Molecular Liquids

ISSN

0167-7322

e-ISSN

1873-3166

Svazek periodika

376

Číslo periodika v rámci svazku

APR 15

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

8

Strana od-do

121414

Kód UT WoS článku

000990683500001

EID výsledku v databázi Scopus

2-s2.0-85150369591