Water above its boiling point: Study of the temperature and density dependence of the partial pair correlation functions. I. Neutron diffraction experiment

Neutron diffraction data on water, employing the technique of hydrogen/deuterium isotope substitution, are reported at three thermodynamic states above the boiling point. The structural information is analyzed in terms of the partial radial distribution functions, OO, OH, and HH, which are extracted from the neutron data. It is found that temperature affects mainly the medium and longer range order in the liquid, while density plays a significant role in controlling the degree of hydrogen bonding. To understand the structure of water obtained from these data it appears that many-body cooperative interactions have to be correctly accounted for.