On the hydrogen bond structure of water at different densities

✍ Scribed by Ernesto R. Caffarena; J.Raúl Grigera

• Publisher: Elsevier Science
• Year: 2004
• Tongue: English
• Weight: 175 KB
• Volume: 342
• Category: Article
• ISSN: 0378-4371
• DOI: 10.1016/j.physa.2004.04.057

✦ Synopsis

The e ect 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 in uence on di erent situations which are particularly important in biological systems. We have studied the hydrogen bond distribution on SPC/E water model at di erent pressures by means of molecular dynamics simulation. The behaviour of the self-di usion coe cient and hydrophobic interaction was analysed focusing on the modiÿcation of hydrogen-bond distribution by pressure e ects. We suggest an explanation based on hydrogen-bond distribution for these two seemingly unconnected phenomena.