Primitive model of water

Abstract

Results for the structural and thermodynamic properties of the primitive model of water obtained from the currently available theories and their modifications, namely from the generalized RISM, corrected RAM (cRAM), Dahl-Andersen (DA), and Wertheim (W) theories, and from a lattice model are compared with simulation data. It is shown that the first-order DA and W theories are reasonably accurate for both the internal energy and pressure and percentage occurrence of hydrogen bonded oligomers. Results for the structural properties are uniformly worse.