Inclusion of neon inside ice I c and its influence to the ice structure

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Abstract

A hybrid type of grand-canonical Monte Carlo simulation is carried out to investigate the accommodation of guest particle, i.e. neon, inside ice I c and its influence to the ice structure. The simulation is extended from low pressure and temperature where the pure ice I c structure is stable. As the compression proceeds, ice I c structure become unstable due to the high pressure, and then at higher pressure it is shown that a large amount of neon can be kept inside the ice giving a stable neon hydrate of ice I c structure with the neon-to-water molar ratio close to unity. The key factor in stabilizing ice structure by guest particle is clarified by carrying out simulation with different magnitudes of Lennard-Jones (LJ) parameter ∈ wg which mainly determine the depth of LJ potential well of interaction between guest and host particles.

Original languageEnglish
Article numberSA018
JournalJournal of the Physical Society of Japan
Volume81
Issue numberSUPPL. A
Publication statusPublished - Sep 2012

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Keywords

  • Hydrate
  • Ice I
  • Monte Carlo simulation
  • Neon
  • Water

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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