Dynamic mechanical and dielectric relaxational behavior of poly(cyclohexylalkyl methacrylate)s

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dc.contributor.authorCalleja, RD
dc.contributor.authorGarcia Bernabe, A
dc.contributor.authorSanchez Martinez, E
dc.contributor.authorHormazabal, A
dc.contributor.authorGargallo, L
dc.contributor.authorGonzalez Nilo, F
dc.contributor.authorRadic, D
dc.date.accessioned2024-01-10T13:47:45Z
dc.date.available2024-01-10T13:47:45Z
dc.date.issued2001
dc.description.abstractThe dynamic mechanical and dielectric behavior of three poly(cyclohexylalkyl methaerylate)s with different spacer groups has been studied. The study was performed by determining the components of the complex relaxation modulus E* and the complex dielectric permittivity epsilon*. Results are discussed in terms of the effect of the side chain structure and the insertion of flexible spacer groups. Molecular dynamic calculations for the repeating unit of the polymers under study are analyzed. Close to room temperature the interconversion between axial and equatorial conformations is not observed whitin the total time of 5 ns. The analysis was then performed from 1000 to 1500 K, and the results were extrapolated to lower temperatures. By this way the fraction of axial and equatorial conformations was calculated. The free energy change against the number of carbon atoms in the side chain is in excellent agreement with the experimental data. This means that the gamma relaxation associated with the chair-to-chair conformational change in the cyclohexyl group is also influenced by the length of the spacer group. The molecular dynamics approach allows to observe the relative incidence of the two conformations of the cyclohexyl group which can be related to the motions responsible for the gamma relaxation.
dc.fechaingreso.objetodigital2024-04-23
dc.format.extent6 páginas
dc.fuente.origenWOS
dc.identifier.doi10.1021/ma010441i
dc.identifier.eissn1520-5835
dc.identifier.issn0024-9297
dc.identifier.urihttps://doi.org/10.1021/ma010441i
dc.identifier.urihttps://repositorio.uc.cl/handle/11534/79301
dc.identifier.wosidWOS:000170662100028
dc.information.autorucQuímica;Gargallo L;S/I;98194
dc.information.autorucQuímica;Radic D;S/I;49367
dc.issue.numero18
dc.language.isoen
dc.nota.accesocontenido parcial
dc.pagina.final6317
dc.pagina.inicio6312
dc.publisherAMER CHEMICAL SOC
dc.revistaMACROMOLECULES
dc.rightsacceso restringido
dc.subjectMOLECULAR-DYNAMICS
dc.subjectMODEL COMPOUNDS
dc.subjectCHAINS
dc.titleDynamic mechanical and dielectric relaxational behavior of poly(cyclohexylalkyl methacrylate)s
dc.typeartículo
dc.volumen34
sipa.codpersvinculados98194
sipa.codpersvinculados49367
sipa.indexWOS
sipa.indexScopus
sipa.trazabilidadCarga SIPA;09-01-2024
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