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Assessing the quality of SAFT equations for the vapor-liquid equilibrium of pure water
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SYSNO ASEP 0572420 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název Assessing the quality of SAFT equations for the vapor-liquid equilibrium of pure water Tvůrce(i) Klajmon, M. (CZ)
Nezbeda, Ivo (UCHP-M) RID, ORCID, SAIČíslo článku 121414 Zdroj.dok. Journal of Molecular Liquids. - : Elsevier - ISSN 0167-7322
Roč. 376, APR 15 (2023)Poč.str. 8 s. Jazyk dok. eng - angličtina Země vyd. NL - Nizozemsko Klíč. slova SAFT equations ; vapor-liquid equilibria ; water Obor OECD Chemical engineering (plants, products) CEP GA20-06825S GA ČR - Grantová agentura ČR Způsob publikování Open access s časovým embargem (16.04.2025) Institucionální podpora UCHP-M - RVO:67985858 UT WOS 000990683500001 EID SCOPUS 85150369591 DOI 10.1016/j.molliq.2023.121414 Anotace 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. Pracoviště Ústav chemických procesů Kontakt Eva Jirsová, jirsova@icpf.cas.cz, Tel.: 220 390 227 Rok sběru 2024 Elektronická adresa https://hdl.handle.net/11104/0343187
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