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Higher virial coefficients of water

  1. 1.
    0496426 - ÚT 2019 RIV NL eng J - Článek v odborném periodiku
    Rouha, Michael - Nezbeda, I. - Hrubý, Jan - Moučka, F.
    Higher virial coefficients of water.
    Journal of Molecular Liquids. Roč. 270, November (2018), s. 81-86. ISSN 0167-7322
    Grant CEP: GA ČR(CZ) GA16-02647S
    Institucionální podpora: RVO:61388998 ; RVO:67985858
    Klíčová slova: virial coefficients of water * virial expansion * polarizable BK3 model * TIP4P/2005 model
    Kód oboru RIV: BJ - Termodynamika; CI - Průmyslová chemie a chemické inženýrství (UCHP-M)
    Obor OECD: Thermodynamics; Chemical process engineering (UCHP-M)
    Impakt faktor: 4.561, rok: 2018
    https://www.sciencedirect.com/science/article/pii/S0167732217350778?via%3Dihub

    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.
    Trvalý link: http://hdl.handle.net/11104/0289598
     
Počet záznamů: 1