Abstract

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 pseudoexperimental data is carried out. 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 temperatures (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.

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