Journal
SOLID STATE COMMUNICATIONS
Volume 294, Issue -, Pages 6-10Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.ssc.2019.03.002
Keywords
Hydrogen hydrates; Phase composition; Phase diagram; Statistical thermodynamic
Categories
Funding
- Basic Research Program of SB RAS [V.44.4.9]
- Ministry of Education, Culture, Sports, Science, and Technology of Japan [17H03122]
- Ministry of Education, Culture, Sports, Science, and Technology (MEXT) [hp140159]
- Grants-in-Aid for Scientific Research [17H03122] Funding Source: KAKEN
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In this work the original approach developed in our group is applied to describe the phase diagram on p-T plane and phases composition for hydrogen - water system in a wide pressure and temperature range and for prediction of composition and thermodynamic properties of hydrogen hydrates. The p-T phase diagram was calculated for pressure up to 2.5 GPa and temperature from 200 to 330 K, and the following phases have been found to be stable within this region: H-2 clathrate hydrate of cubic structure II, H-2 filled ices I-h, I-c, II. The obtained monovariant equilibrium lines are found to be in a good agreement with known experimental and theoretical data. Calculated solid phase compositions are also in a good agreement with previous results.
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