RT Journal Article
T1 High temperature behavior of water inside flat graphite nanochannels
A1 Gordillo, M.C.
A1 Martí, J.
K1 High temperatures
K1 Water
K1 Graphite
AB 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 398K, 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 398K 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.
PB American Physical Society
SN 1098-0121
YR 2007
FD 2007-02
LK http://hdl.handle.net/10433/920
UL http://hdl.handle.net/10433/920
LA en
NO Physical Review B - Condensed Matter and Materials Physics, 2007;75(8)
NO Universidad Pablo de Olavide. Departamento de Sistemas Físicos, Químicos y Naturales
DS RIO
RD May 27, 2026