On the hydrogen bond structure of water at different densities

Ernesto R. Caffarena and J.Raúl Grigera

Physica A: Statistical Mechanics and its Applications, 2004, vol. 342, issue 1, 34-39

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.

Keywords: Water; Hydrogen bonds; Pressure effects; Hydrophobic hydration (search for similar items in EconPapers)
Date: 2004
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:342:y:2004:i:1:p:34-39

DOI: 10.1016/j.physa.2004.04.057

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