Abstract
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.
Original language | English |
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Pages (from-to) | 6-10 |
Number of pages | 5 |
Journal | Solid State Communications |
Volume | 294 |
DOIs | |
Publication status | Published - 2019 Jun |
Keywords
- Hydrogen hydrates
- Phase composition
- Phase diagram
- Statistical thermodynamic
ASJC Scopus subject areas
- Chemistry(all)
- Condensed Matter Physics
- Materials Chemistry