The pair-correl.Ation functions of water at a pressure of 1 000 bar in the temperature range 25–500°C

Abstract

Pair-correlation functions for liquid and supereritical water are reported. The behaviour of these functions shows a lessening of the hydrogen bondings and the tetrahedral ordering in the water structure with increasing temperature. Strong evidence that the distribution of intermolecular distances between nearest-neighbour molecules should be discrete is found. The contributions of structurally distinguishable molecules to the coordination number of water are estimated.