Calculations of the site-site correlation functions for a model of water were performed as a function of density (or pressure) at fixed temperature. These calculations are discussed and compared to neutron-scattering data. The structure of liquid water at high pressure is consistent with a substantially distorted hydrogen-bonding network. It is found that, unlike MeOH, water cannot easily accommodate structures associated with directional attractive forces in the region of several kilobars of pressure.
ASJC Scopus subject areas
- Physical and Theoretical Chemistry