Higher virial coefficients of water

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. E-ISSN 1873-3166
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
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