Theoretical study of the self-preservation effect in CF4gas hydrates

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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.

Original languageEnglish
Article number012050
JournalJournal of Physics: Conference Series
Issue number1
Publication statusPublished - 15 Dec 2020
Event5th All-Russian Scientific Conference Thermophysics and Physical Hydrodynamics with the School for Young Scientists, TPH 2020 - Yalta, Crimea, Ukraine
Duration: 13 Sep 202020 Sep 2020


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