Papers

Mar, 2010

Phase Behavior of Different Forms of Ice Filled with Hydrogen Molecules

PHYSICAL REVIEW LETTERS
  • Lukman Hakim
  • ,
  • Kenichiro Koga
  • ,
  • Hideki Tanaka

Volume
104
Number
11
First page
115701
Last page
Language
English
Publishing type
Research paper (scientific journal)
DOI
10.1103/PhysRevLett.104.115701
Publisher
AMER PHYSICAL SOC

A hybrid grand-canonical Monte Carlo simulation has been performed to investigate the hydrogen hydrate compounds in which hydrogen molecules are stored in ice II and ice I(c). A simple theoretical model, which can reproduce the simulation results, provides the phase diagrams of the two-component system in the pressure-composition plane. Stability enhancement of the two ice forms by hydrogen is quantified by the chemical potential calculation of water. The phase transitions among various phases including the two hydrogen hydrates are predicted as functions of pressure, hydrogen occupancy, and temperature.

Link information
DOI
https://doi.org/10.1103/PhysRevLett.104.115701
Web of Science
https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=JSTA_CEL&SrcApp=J_Gate_JST&DestLinkType=FullRecord&KeyUT=WOS:000275802600027&DestApp=WOS_CPL
ID information
  • DOI : 10.1103/PhysRevLett.104.115701
  • ISSN : 0031-9007
  • Web of Science ID : WOS:000275802600027

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