The Effect of Pressure on the Hydrogen Bond Structure of Liquid Water

Abstract

The results of molecular dynamics simulations of low and high pressure liquid water using a modified central force potential have been analyzed in order to study the effect of pressure on the hydrogen bond structure of water. The properties investigated and discussed include the hydrogen bond angle distribution, the O -O distance distribution between the neighbour molecules, the structure of the first coordination sphere in the high density liquid and the average number of hydrogen bonds.