Thermodynamic properties of CH₄, CCl₄ and CF₄ on the melting line. Theory and computer simulation
Thermodynamic properties of the condensed phases of methane CH₄, carbon tetrafluoride CF₄ and carbon tetrachloride CCl₄ on the melting line and in the high-pressure region were studied using the equations of state developed earlier for methane in the framework of the thermodynamic perturbation theor...
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| Datum: | 2019 |
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| Hauptverfasser: | , |
| Format: | Artikel |
| Sprache: | English |
| Veröffentlicht: |
Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України
2019
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| Schriftenreihe: | Физика низких температур |
| Schlagworte: | |
| Online Zugang: | http://dspace.nbuv.gov.ua/handle/123456789/175949 |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Zitieren: | Thermodynamic properties of CH₄, CCl₄ and CF₄ on the melting line. Theory and computer simulation / L.N. Yakub, E.S. Bodiul // Физика низких температур. — 2019. — Т. 45, № 3. — С. 294-300. — Бібліогр.: 24 назв. — англ. |
Institution
Digital Library of Periodicals of National Academy of Sciences of Ukraine| Zusammenfassung: | Thermodynamic properties of the condensed phases of methane CH₄, carbon tetrafluoride CF₄ and carbon tetrachloride CCl₄ on the melting line and in the high-pressure region were studied using the equations of state developed earlier for methane in the framework of the thermodynamic perturbation theory. We also present the results of Monte Carlo computer simulations of fcc phases of methane, carbon tetrachloride, and of the monoclinic
tetrafluoromethane phase using a potential model that takes into account both the central and octupole–octupole
interaction. The contribution of the octupole–octupole interaction to the thermodynamic properties of crystals are
evaluated. The simulation results are compared with the available experimental data on the sublimation and
melting lines, as well as to results of previous calculations based on the equations of state. |
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