Phase diagram and composition of water based crystalline phases in hydrogen – Water binary system

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 pha...

Full description

Saved in:
Bibliographic Details
Published in:Solid state communications 2019-06, Vol.294, p.6-10
Main Authors: Zhdanov, Ravil K., Bozhko, Yulia Y., Belosludov, Vladimir R., Subbotin, Oleg S., Gets, Kirill V., Belosludov, Rodion V., Kawazoe, Yoshiyuki
Format: Article
Language:English
Subjects:
Hydrogen hydrates
Phase composition
Phase diagram
Statistical thermodynamic
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary: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: H2 clathrate hydrate of cubic structure II, H2 filled ices Ih, Ic, 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. •The stability regions for solid hydrogen-contained phases have been determined.•The composition of phases presented in the system has been calculated.•Transition line CS-II H2 hydrate - H2 filled ice II has been found.
ISSN:0038-1098
1879-2766
DOI:10.1016/j.ssc.2019.03.002