Structure and thermodynamic stability of high-pressure filled ices containing hydrogen

Lukman Hakim; Takuma Yagasaki; Masakazu Matsumoto; Hideki Tanaka

doi:10.4131/jshpreview.24.265

Structure and thermodynamic stability of high-pressure filled ices containing hydrogen

Lukman Hakim, Takuma Yagasaki, Masakazu Matsumoto, Hideki Tanaka

Research Institute for Interdisciplinary Science

Research output: Contribution to journal › Article › peer-review

Abstract

Statistical mechanical and simulation studies have been reviewed for the filled ice Ic and ice II containing hydrogen molecules. The occupancy of hydrogen inside the voids of ice Ic and ice II is examined using a hybrid grandcanonical Monte Carlo simulation in wide ranges of pressure and temperature. A simple theoretical model provides a global phase diagram of two-component system in which the phase equilibria among various phases can be predicted.

Original language	English
Pages (from-to)	265-269
Number of pages	5
Journal	Review of High Pressure Science and Technology/Koatsuryoku No Kagaku To Gijutsu
Volume	24
Issue number	4
DOIs	https://doi.org/10.4131/jshpreview.24.265
Publication status	Published - Dec 25 2014

Keywords

Filled ice
Hydrogen
Statistical mechanics
Thermodynamic stability

ASJC Scopus subject areas

Chemistry(all)
Materials Science(all)
Condensed Matter Physics

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10.4131/jshpreview.24.265

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abstract = "Statistical mechanical and simulation studies have been reviewed for the filled ice Ic and ice II containing hydrogen molecules. The occupancy of hydrogen inside the voids of ice Ic and ice II is examined using a hybrid grandcanonical Monte Carlo simulation in wide ranges of pressure and temperature. A simple theoretical model provides a global phase diagram of two-component system in which the phase equilibria among various phases can be predicted.",

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AU - Matsumoto, Masakazu

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PY - 2014/12/25

Y1 - 2014/12/25

N2 - Statistical mechanical and simulation studies have been reviewed for the filled ice Ic and ice II containing hydrogen molecules. The occupancy of hydrogen inside the voids of ice Ic and ice II is examined using a hybrid grandcanonical Monte Carlo simulation in wide ranges of pressure and temperature. A simple theoretical model provides a global phase diagram of two-component system in which the phase equilibria among various phases can be predicted.

AB - Statistical mechanical and simulation studies have been reviewed for the filled ice Ic and ice II containing hydrogen molecules. The occupancy of hydrogen inside the voids of ice Ic and ice II is examined using a hybrid grandcanonical Monte Carlo simulation in wide ranges of pressure and temperature. A simple theoretical model provides a global phase diagram of two-component system in which the phase equilibria among various phases can be predicted.

KW - Filled ice

KW - Hydrogen

KW - Statistical mechanics

KW - Thermodynamic stability

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Structure and thermodynamic stability of high-pressure filled ices containing hydrogen

Abstract

Keywords

ASJC Scopus subject areas

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