On the hydrogen bond structure of water at different densities
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.
Year of publication: |
2004
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Authors: | Caffarena, Ernesto R. ; Grigera, J. Raúl |
Published in: |
Physica A: Statistical Mechanics and its Applications. - Elsevier, ISSN 0378-4371. - Vol. 342.2004, 1, p. 34-39
|
Publisher: |
Elsevier |
Subject: | Water | Hydrogen bonds | Pressure effects | Hydrophobic hydration |
Saved in:
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