Research output: Contribution to journal › Article › peer-review
Phase diagram and composition of water based crystalline phases in hydrogen – Water binary system. / Zhdanov, Ravil K.; Bozhko, Yulia Y.; Belosludov, Vladimir R. et al.
In: Solid State Communications, Vol. 294, 01.06.2019, p. 6-10.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - Phase diagram and composition of water based crystalline phases in hydrogen – Water binary system
AU - Zhdanov, Ravil K.
AU - Bozhko, Yulia Y.
AU - Belosludov, Vladimir R.
AU - Subbotin, Oleg S.
AU - Gets, Kirill V.
AU - Belosludov, Rodion V.
AU - Kawazoe, Yoshiyuki
N1 - Publisher Copyright: © 2019 Elsevier Ltd
PY - 2019/6/1
Y1 - 2019/6/1
N2 - 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.
AB - 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.
KW - Hydrogen hydrates
KW - Phase composition
KW - Phase diagram
KW - Statistical thermodynamic
UR - http://www.scopus.com/inward/record.url?scp=85062461728&partnerID=8YFLogxK
U2 - 10.1016/j.ssc.2019.03.002
DO - 10.1016/j.ssc.2019.03.002
M3 - Article
AN - SCOPUS:85062461728
VL - 294
SP - 6
EP - 10
JO - Solid State Communications
JF - Solid State Communications
SN - 0038-1098
ER -
ID: 18679776