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On the hydrogen bond structure of water at different densities

Author

Listed:
  • Caffarena, Ernesto R.
  • Grigera, J.Raúl

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.

Suggested Citation

  • Caffarena, Ernesto R. & Grigera, J.Raúl, 2004. "On the hydrogen bond structure of water at different densities," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 342(1), pages 34-39.
  • Handle: RePEc:eee:phsmap:v:342:y:2004:i:1:p:34-39
    DOI: 10.1016/j.physa.2004.04.057
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