Theoretical study of the self-preservation effect in CF4gas hydrates

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Theoretical study of the self-preservation effect in CF₄gas hydrates. / Zhdanov, R. K.; Gets, K. V.; Bozhko, Y. Y. et al.

In: Journal of Physics: Conference Series, Vol. 1675, No. 1, 012050, 15.12.2020.

Research output: Contribution to journal › Conference article › peer-review

BibTeX

@article{728570c9506243aaa6763e970faa9395,

title = "Theoretical study of the self-preservation effect in CF4gas hydrates",

abstract = "This work studies thermodynamic properties of CF4 gas hydrates using the statistical thermodynamic model of inclusion compounds, developed in our laboratory and closely associated with Quasiharmonic Lattice Dynamic (QLD) and Molecular Dynamic Simulation (MD). Thermal expansion coefficient of CF4 gas hydrate is calculated at different hydrate composition. The thermal expansion coefficient is shown to be lesser than the thermal expansion coefficient of CH4 hydrates, but larger than ice Ih, that still indicates the presence of the self-preservation effect. The thermal expansion coefficient is very sensitive to the composition of the hydrate and can vary in a wide range. The same is true for the hydrate lattice parameter as well; it is shown that at certain conditions it may be even less than for hypothetical empty hydrate structure. The self-preservation effect may be applied for many aspects related to CF4 compound, especially for storage and transportation purposes in producing semiconductor electronics.",

author = "Zhdanov, {R. K.} and Gets, {K. V.} and Bozhko, {Y. Y.} and Subbotin, {O. S.} and Belosludov, {V. R.}",

note = "Funding Information: This work is supported by the Russian Science Foundation under grant No 18-19-00124. Publisher Copyright: {\textcopyright} Published under licence by IOP Publishing Ltd. Copyright: Copyright 2020 Elsevier B.V., All rights reserved.; 5th All-Russian Scientific Conference Thermophysics and Physical Hydrodynamics with the School for Young Scientists, TPH 2020 ; Conference date: 13-09-2020 Through 20-09-2020",

year = "2020",

month = dec,

day = "15",

doi = "10.1088/1742-6596/1675/1/012050",

language = "English",

volume = "1675",

journal = "Journal of Physics: Conference Series",

issn = "1742-6588",

publisher = "IOP Publishing Ltd.",

number = "1",

}

RIS

TY - JOUR

T1 - Theoretical study of the self-preservation effect in CF4gas hydrates

AU - Zhdanov, R. K.

AU - Gets, K. V.

AU - Bozhko, Y. Y.

AU - Subbotin, O. S.

AU - Belosludov, V. R.

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 studies thermodynamic properties of CF4 gas hydrates using the statistical thermodynamic model of inclusion compounds, developed in our laboratory and closely associated with Quasiharmonic Lattice Dynamic (QLD) and Molecular Dynamic Simulation (MD). Thermal expansion coefficient of CF4 gas hydrate is calculated at different hydrate composition. The thermal expansion coefficient is shown to be lesser than the thermal expansion coefficient of CH4 hydrates, but larger than ice Ih, that still indicates the presence of the self-preservation effect. The thermal expansion coefficient is very sensitive to the composition of the hydrate and can vary in a wide range. The same is true for the hydrate lattice parameter as well; it is shown that at certain conditions it may be even less than for hypothetical empty hydrate structure. The self-preservation effect may be applied for many aspects related to CF4 compound, especially for storage and transportation purposes in producing semiconductor electronics.

AB - This work studies thermodynamic properties of CF4 gas hydrates using the statistical thermodynamic model of inclusion compounds, developed in our laboratory and closely associated with Quasiharmonic Lattice Dynamic (QLD) and Molecular Dynamic Simulation (MD). Thermal expansion coefficient of CF4 gas hydrate is calculated at different hydrate composition. The thermal expansion coefficient is shown to be lesser than the thermal expansion coefficient of CH4 hydrates, but larger than ice Ih, that still indicates the presence of the self-preservation effect. The thermal expansion coefficient is very sensitive to the composition of the hydrate and can vary in a wide range. The same is true for the hydrate lattice parameter as well; it is shown that at certain conditions it may be even less than for hypothetical empty hydrate structure. The self-preservation effect may be applied for many aspects related to CF4 compound, especially for storage and transportation purposes in producing semiconductor electronics.

UR - http://www.scopus.com/inward/record.url?scp=85098156431&partnerID=8YFLogxK

U2 - 10.1088/1742-6596/1675/1/012050

DO - 10.1088/1742-6596/1675/1/012050

M3 - Conference article

AN - SCOPUS:85098156431

VL - 1675

JO - Journal of Physics: Conference Series

JF - Journal of Physics: Conference Series

SN - 1742-6588

IS - 1

M1 - 012050

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: 27375371