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Higher virial coefficients of water
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SYSNO ASEP 0496426 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Higher virial coefficients of water Author(s) Rouha, Michael (UCHP-M)
Nezbeda, I. (CZ)
Hrubý, Jan (UT-L) RID, ORCID
Moučka, F. (CZ)Number of authors 4 Source Title Journal of Molecular Liquids. - : Elsevier - ISSN 0167-7322
Roč. 270, November (2018), s. 81-86Number of pages 7 s. Publication form Print - P Language eng - English Country NL - Netherlands Keywords virial coefficients of water ; virial expansion ; polarizable BK3 model ; TIP4P/2005 model Subject RIV BJ - Thermodynamics OECD category Thermodynamics Subject RIV - cooperation Institute of Chemical Process Fundamentals - Industrial Chemistry, Chemical Engineering R&D Projects GA16-02647S GA ČR - Czech Science Foundation (CSF) Institutional support UT-L - RVO:61388998 ; UCHP-M - RVO:67985858 UT WOS 000451360200011 EID SCOPUS 85034737779 DOI 10.1016/j.molliq.2017.11.105 Annotation Virial coefficients B2 to B4 for the non-polarizable TIP4P/2005 model of water and the polarizable BK3 model were computed. An analysis and assessment of available experimental and seudoexperimental data is carriedout. Various forms of the virial expansion are examined with respect to their potential use for the description of steam (working agent in turbines). At higher emperatures (higher densities) the expansion starts exhibiting an irregular behavior indicating that at these conditions the vapor can likely not be viewed as a system made up only of individual molecules, and the occurrence of clusters of different size must be accounted for. Workplace Institute of Thermomechanics Contact Marie Kajprová, kajprova@it.cas.cz, Tel.: 266 053 154 ; Jana Lahovská, jaja@it.cas.cz, Tel.: 266 053 823 Year of Publishing 2019 Electronic address https://www.sciencedirect.com/science/article/pii/S0167732217350778?via%3Dihub
Number of the records: 1