Cell theory for liquid water

Abstract

Cell theory of fluids is applied to liquid water, assuming the intermolecular potential to be purely electrostatic. A “free volume” is computed for several values of the temperature and the distance between nearest neighbours, in an expanded ice lattice. Different orientations of the moving molecule are considered and averaged in the calculation, which in this case consists of a six-dimensional integral that is performed by Monte Carlo numerical integration. Comparison of experimental and calculated thermodynamic properties is not straight-forward but shows that the obtained free volumes are of the correct order of magnitude.