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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 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Assessing the quality of SAFT equations for the vapor-liquid equilibrium of pure water Author(s) Klajmon, M. (CZ)
Nezbeda, Ivo (UCHP-M) RID, ORCID, SAIArticle number 121414 Source Title Journal of Molecular Liquids. - : Elsevier - ISSN 0167-7322
Roč. 376, APR 15 (2023)Number of pages 8 s. Language eng - English Country NL - Netherlands Keywords SAFT equations ; vapor-liquid equilibria ; water OECD category Chemical engineering (plants, products) R&D Projects GA20-06825S GA ČR - Czech Science Foundation (CSF) Method of publishing Open access with time embargo (16.04.2025) Institutional support UCHP-M - RVO:67985858 UT WOS 000990683500001 EID SCOPUS 85150369591 DOI 10.1016/j.molliq.2023.121414 Annotation 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. Workplace Institute of Chemical Process Fundamentals Contact Eva Jirsová, jirsova@icpf.cas.cz, Tel.: 220 390 227 Year of Publishing 2024 Electronic address https://hdl.handle.net/11104/0343187
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