Research output: Contribution to journal › Conference article › peer-review
Thermal expansion of ice based gas hydrates. / Belosludov, V. R.; Zhdanov, R. K.; Gets, K. V. et al.
In: Journal of Physics: Conference Series, Vol. 1675, No. 1, 012045, 15.12.2020.Research output: Contribution to journal › Conference article › peer-review
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TY - JOUR
T1 - Thermal expansion of ice based gas hydrates
AU - Belosludov, V. R.
AU - Zhdanov, R. K.
AU - Gets, K. V.
AU - Bozhko, Y. Y.
AU - Subbotin, O. S.
N1 - Funding Information: This work is supported by the Russian Science Foundation under grant No 18-19-00124. Publisher Copyright: © Published under licence by IOP Publishing Ltd. Copyright: Copyright 2020 Elsevier B.V., All rights reserved.
PY - 2020/12/15
Y1 - 2020/12/15
N2 - This work aims at studying thermal expansion of ice Ih based gas hydrates that play important role in self-preservation effect of classical gas hydrates. Linear thermal expansion of ice Ih based hydrogen hydrates are calculated using a very effective statistical thermodynamic model of gas hydrates developed by the authors of this work. Molecular structures of all studied systems are obtained by MD simulations, and all parameters required by the model are obtained by using Quasiharmonic Lattice Dynamic approach. In accordance with our calculations, introduction of hydrogen into the system not only significantly affects the unit cell parameter of ice, but also increases linear thermal expansion and makes it comparable to the classical gas hydrates such as CH4, CO2, etc.
AB - This work aims at studying thermal expansion of ice Ih based gas hydrates that play important role in self-preservation effect of classical gas hydrates. Linear thermal expansion of ice Ih based hydrogen hydrates are calculated using a very effective statistical thermodynamic model of gas hydrates developed by the authors of this work. Molecular structures of all studied systems are obtained by MD simulations, and all parameters required by the model are obtained by using Quasiharmonic Lattice Dynamic approach. In accordance with our calculations, introduction of hydrogen into the system not only significantly affects the unit cell parameter of ice, but also increases linear thermal expansion and makes it comparable to the classical gas hydrates such as CH4, CO2, etc.
UR - http://www.scopus.com/inward/record.url?scp=85098106256&partnerID=8YFLogxK
U2 - 10.1088/1742-6596/1675/1/012045
DO - 10.1088/1742-6596/1675/1/012045
M3 - Conference article
AN - SCOPUS:85098106256
VL - 1675
JO - Journal of Physics: Conference Series
JF - Journal of Physics: Conference Series
SN - 1742-6588
IS - 1
M1 - 012045
T2 - 5th All-Russian Scientific Conference Thermophysics and Physical Hydrodynamics with the School for Young Scientists, TPH 2020
Y2 - 13 September 2020 through 20 September 2020
ER -
ID: 27375639