Abstract
X-ray diffraction measurements in an energy-dispersive mode have been made on water under various thermodynamic conditions of 298K/30MPa, 473K/30MPa and 573K/30MPa on a laboratory X-ray diffractometer. All the X-ray structure factors as well as those of water already measured at 298K/1GPa, 473K/0.35GPa and 486K/4GPa by using synchrotron X-ray radiation were subjected to empirical potential structure refinement (EPSR) modeling to reveal the detailed hydrogen bonding features in terms of partial pair correlation function, coordination number and three-dimensional spatial density function as a function of temperature and pressure. It has been shown to what extent the tetrahedral hydrogen-bonded network of water is perturbed by pressure and temperature. Structural characteristics of liquid water are discussed in connection with unique properties and functions of water under extreme conditions.
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