On the hydrogen bond structure of water at different densities

• DOI: 10.1016/j.physa.2004.04.057
• Publication Date: 2004-05-15T10:35:51Z
• Authors: Ernesto R. Caffarena; J.Raúl Grigera
• Keywords: 02 engineering and technology; 0210 nano-technology

Abstract The effect of pressure on the water properties is an interesting matter not only because of the so-called ‘abnormal’ behaviour but also because it has a deep influence on different situations which are particularly important in biological systems. We have studied the hydrogen bond distribution on SPC/E water model at different pressures by means of molecular dynamics simulation. The behaviour of the self-diffusion coefficient and hydrophobic interaction was analysed focusing on the modification of hydrogen-bond distribution by pressure effects. We suggest an explanation based on hydrogen-bond distribution for these two seemingly unconnected phenomena.