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Thermal properties of halogen-ethane glassy crystals: Effects of orientational disorder and the role of internal molecular degrees of freedom
dc.contributor.author | Vdovichenko, Georgii A. |
dc.contributor.author | Krivchikov, Alexander I |
dc.contributor.author | Korolyuk, O. A. |
dc.contributor.author | Tamarit Mur, José Luis |
dc.contributor.author | Pardo Soto, Luis Carlos |
dc.contributor.author | Rovira Esteva, Muriel |
dc.contributor.author | Bermejo, F. Javier |
dc.contributor.author | Hassaine, M. |
dc.contributor.author | Ramos Ruiz, Miguel Angel |
dc.contributor.other | Universitat Politècnica de Catalunya. Departament de Física |
dc.date.accessioned | 2015-12-07T10:46:53Z |
dc.date.available | 2016-08-01T00:31:08Z |
dc.date.issued | 2015-08-28 |
dc.identifier.citation | Vdovichenko, G. A, Krivchikov, A., Korolyuk, O., Tamarit, J. Ll., Pardo, L., Rovira-Esteva, M., Bermejo, F., Hassaine, M., Ramos, M. Thermal properties of halogen-ethane glassy crystals: Effects of orientational disorder and the role of internal molecular degrees of freedom. "Journal of chemical physics", 28 Agost 2015, vol. 143, núm. 8, p. 084510-1-084510-10. |
dc.identifier.issn | 0021-9606 |
dc.identifier.uri | http://hdl.handle.net/2117/80240 |
dc.description.abstract | The thermal conductivity, specific heat, and specific volume of the orientational glass former 1,1,2-trichloro-1,2,2-trifluoroethane (CCl2F-CClF2, F-113) have been measured under equilibrium pressure within the low-temperature range, showing thermodynamic anomalies at ca. 120, 72, and 20 K. The results are discussed together with those pertaining to the structurally related 1,1,2,2-tetrachloro-1,2-difluoroethane (CCl2F-CCl2F, F-112), which also shows anomalies at 130, 90, and 60 K. The rich phase behavior of these compounds can be accounted for by the interplay between several of their degrees of freedom. The arrest of the degrees of freedom corresponding to the internal molecular rotation, responsible for the existence of two energetically distinct isomers, and the overall molecular orientation, source of the characteristic orientational disorder of plastic phases, can explain the anomalies at higher and intermediate temperatures, respectively. The soft-potential model has been used as the framework to describe the thermal properties at low temperatures. We show that the low-temperature anomaly of the compounds corresponds to a secondary relaxation, which can be associated with the appearance of Umklapp processes, i.e., anharmonic phononphonon scattering, that dominate thermal transport in that temperature range. (C) 2015 AIP Publishing LLC. |
dc.language.iso | eng |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/3.0/es/ |
dc.subject | Àrees temàtiques de la UPC::Energies |
dc.subject | Àrees temàtiques de la UPC::Enginyeria química::Química física |
dc.subject.lcsh | Chemistry, Physical and theorical |
dc.subject.lcsh | Thermodynamics |
dc.subject.other | Low-temperature properties |
dc.subject.other | Stereochemical consequences |
dc.subject.other | Substituted ethanes |
dc.subject.other | Rotational isomers |
dc.subject.other | Normal vibrations |
dc.subject.other | Infrared-spectra |
dc.subject.other | Conductivity |
dc.subject.other | Alcohols |
dc.subject.other | Heat |
dc.subject.other | 1 |
dc.subject.other | 1 |
dc.subject.other | 2 |
dc.subject.other | 2-tetrachloroethane |
dc.title | Thermal properties of halogen-ethane glassy crystals: Effects of orientational disorder and the role of internal molecular degrees of freedom |
dc.type | Article |
dc.subject.lemac | Fisicoquímica |
dc.subject.lemac | Termodinàmica |
dc.contributor.group | Universitat Politècnica de Catalunya. GCM - Grup de Caracterització de Materials |
dc.identifier.doi | 10.1063/1.4929530 |
dc.rights.access | Open Access |
local.identifier.drac | 16942915 |
dc.description.version | Postprint (author's final draft) |
local.citation.author | Vdovichenko, G. A; Krivchikov, A.; Korolyuk, O.; Tamarit, J. Ll.; Pardo, L.; Rovira-Esteva, M.; Bermejo, F.; Hassaine, M.; Ramos, M. |
local.citation.publicationName | Journal of chemical physics |
local.citation.volume | 143 |
local.citation.number | 8 |
local.citation.startingPage | 084510-1 |
local.citation.endingPage | 084510-10 |
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