Inclusion of neon inside ice Ic and its influence to the ice structure

Lukman Hakim, Masakazu Matsumoto, Kenichiro Koga, Hideki Tanaka

    Research output: Contribution to journalArticlepeer-review

    1 Citation (Scopus)

    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 Ic structure is stable. As the compression proceeds, ice Ic 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 Ic 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
    DOIs
    Publication statusPublished - Sep 2012

    Keywords

    • Hydrate
    • Monte Carlo simulation
    • Neon
    • Water

    ASJC Scopus subject areas

    • Physics and Astronomy(all)

    Fingerprint

    Dive into the research topics of 'Inclusion of neon inside ice I<sub>c</sub> and its influence to the ice structure'. Together they form a unique fingerprint.

    Cite this