Abstract
By means of molecular dynamics calculations performed at high temperatures, we were able to calculate the phase diagram of liquid water confined inside narrow graphite channels. We found stable liquid phases all the way to , failing to reach the critical temperature for all of the systems under consideration. We also analyzed how the temperature variations in the range of 298 to affected the hydrogen bond network and found that the main variation in the infrared spectra of confined water at high temperatures was the forward shifting of the bending peak.
- Received 27 June 2006
DOI:https://doi.org/10.1103/PhysRevB.75.085406
©2007 American Physical Society