Physics – Condensed Matter – Materials Science
Scientific paper
2003-06-28
Phys. Rev. B 68, 172105 (2003)
Physics
Condensed Matter
Materials Science
Scientific paper
10.1103/PhysRevB.68.172105
The structural, electronic, and spectroscopic properties of a high-pressure phase of methane hydrate (MH-III) are studied by first principles electronic structure calculations. A detailed analysis of the atomic positions suggests that {\it ionization} of hydrogen-bonded water molecules occurs around 40GPa and {\it centering} or symmetrization of hydrogen-bonds occurs around 70 GPa. These pressures are much lower compared with ioninzation around 55 GPa and centering around 100 GPa in pure ice. The transition may be observed with low-temperature IR/Raman spectroscopy of OH stretching modes or neutron diffraction.
Ebisuzaki Toshikazu
Iitaka Toshiaki
No associations
LandOfFree
Methane Hydrate under High Pressure: Searching for Centering of Hydrogen Bonds does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.
If you have personal experience with Methane Hydrate under High Pressure: Searching for Centering of Hydrogen Bonds, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Methane Hydrate under High Pressure: Searching for Centering of Hydrogen Bonds will most certainly appreciate the feedback.
Profile ID: LFWR-SCP-O-480016