APPLICATION OF PRIMITIVE MODELS OF ASSOCIATION - A SIMPLE THEORETICALEQUATION OF STATE OF WATER

Using the primitive model of water as a molecular-thermodynamic refere nce, a simple equation of state of water is derived. The equation has the form of a perturbed hard-sphere equation and in addition to the in herent term accounting for the hydrogen bonding, it has two other term s accounting for the dispersion forces and for the long-range dipole-d ipole interactions. Overall accuracy of the equation for the orthobari c properties over a wide range of pressures/temperatures is comparable with that of an empirical Soave-type equation and the semi-empirical. APACT equation.