@article{93c96aaf98814ea3a2413c90e1a3ddfd,
title = "Phase diagram and composition of water based crystalline phases in hydrogen – Water binary system",
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. ",
keywords = "Hydrogen hydrates, Phase composition, Phase diagram, Statistical thermodynamic",
author = "Zhdanov, {Ravil K.} and Bozhko, {Yulia Y.} and Belosludov, {Vladimir R.} and Subbotin, {Oleg S.} and Gets, {Kirill V.} and Belosludov, {Rodion V.} and Yoshiyuki Kawazoe",
note = "Funding Information: The present work was supported by the Basic Research Program of SB RAS No.V.44.4.9. We would like to express also our sincere thanks to the crew of the Center for Computational Materials Science of the Institute for Materials Research, Tohoku University for their continuous support.RVB thanks E-IMR center of Institute for Materials Research, Tohoku University and also thankful to the Ministry of Education, Culture, Sports, Science, and Technology of Japan (Grant No. 17H03122) for financial support.YK is indebted to the HPCI project promoted by the Research Organization for Information Science and Technology (RIST) and supported by the Ministry of Education, Culture, Sports, Science, and Technology (MEXT) for the use of the supercomputer (Project ID, hp140159). Funding Information: The present work was supported by the Basic Research Program of SB RAS No. V.44.4.9 . We would like to express also our sincere thanks to the crew of the Center for Computational Materials Science of the Institute for Materials Research, Tohoku University for their continuous support. Funding Information: YK is indebted to the HPCI project promoted by the Research Organization for Information Science and Technology (RIST) and supported by the Ministry of Education, Culture, Sports, Science, and Technology (MEXT) for the use of the supercomputer (Project ID, hp140159 ). Funding Information: RVB thanks E-IMR center of Institute for Materials Research, Tohoku University and also thankful to the Ministry of Education, Culture, Sports, Science, and Technology of Japan (Grant No. 17H03122 ) for financial support. Publisher Copyright: {\textcopyright} 2019 Elsevier Ltd",
year = "2019",
month = jun,
doi = "10.1016/j.ssc.2019.03.002",
language = "English",
volume = "294",
pages = "6--10",
journal = "Solid State Communications",
issn = "0038-1098",
publisher = "Elsevier Limited",
}