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Thermodynamic properties of water from SAFT and CPA equations of state: A comprehensive assessment
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SYSNO ASEP 0559855 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název Thermodynamic properties of water from SAFT and CPA equations of state: A comprehensive assessment Tvůrce(i) Nezbeda, Ivo (UCHP-M) RID, ORCID, SAI
Klajmon, M. (CZ)
Hrubý, Jan (UT-L) RID, ORCIDČíslo článku 119769 Zdroj.dok. Journal of Molecular Liquids. - : Elsevier - ISSN 0167-7322
Roč. 362, Sep 15 (2022)Poč.str. 17 s. Jazyk dok. eng - angličtina Země vyd. NL - Nizozemsko Klíč. slova SAFT equations ; CPA equation ; water ; response functions Obor OECD Chemical engineering (plants, products) CEP GA20-06825S GA ČR - Grantová agentura ČR GA22-03380S GA ČR - Grantová agentura ČR Způsob publikování Open access s časovým embargem (16.09.2024) Institucionální podpora UCHP-M - RVO:67985858 ; UT-L - RVO:61388998 UT WOS 000831695900004 EID SCOPUS 85134335197 DOI 10.1016/j.molliq.2022.119769 Anotace 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. Pracoviště Ústav chemických procesů Kontakt Eva Jirsová, jirsova@icpf.cas.cz, Tel.: 220 390 227 Rok sběru 2023 Elektronická adresa https://hdl.handle.net/11104/0333038
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