Collect. Czech. Chem. Commun. 2010, 75, 593-605
Published online 2010-05-24 11:40:57

A note on scenarios of metastable water

Jan Jirsáka,b,* and Ivo Nezbedaa,b

a E. Hála Laboratory of Thermodynamics, Institute of Chemical Process Fundamentals, Academy of Sciences of the Czech Republic, v.v.i., 165 02 Prague 6, Czech Republic
b Faculty of Science, J. E. Purkinje University, 400 96 Ústí nad Labem, Czech Republic


A recently developed molecular-based equations of state for water are analyzed with respect to the behavior of the liquid spinodal curve. It is shown that all of them yield the spinodal exhibiting a minimum in accordance with Speedy’s stability-limit conjecture and with the behavior predicted by the accurate (but purely empirical) IAPWS-95 equation. It means that the considered equations of state give consistent results but qualitatively different from those resulting from available computer simulations, which yield a monotonic spinodal line.

Keywords: Metastable water; Spinodal; Scenarios; Perturbation theory; Simulation; Equation of state; Thermodynamics.

References: 49 live references.