http://www.cnr.it/ontology/cnr/individuo/prodotto/ID199688
Chain dynamics in nonentangled polymer melts: A first-principle approach for the role of intramolecular barriers (Articolo in rivista)
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- Chain dynamics in nonentangled polymer melts: A first-principle approach for the role of intramolecular barriers (Articolo in rivista) (literal)
- Anno
- 2011-01-01T00:00:00+01:00 (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
- 10.1039/C0SM00861C (literal)
- Alternative label
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
- Marco Bernabei (a); Angel J. Moreno (b); Emanuela Zaccarelli (c); Francesco Sciortino (c); Juan Colmenero (abd) (literal)
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- This article is part of the collection: International Soft Matter Conference 2010 and International Soft Matter Conference 2010 Web Theme (literal)
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- http://pubs.rsc.org/en/Content/ArticleLanding/2011/SM/c0sm00861c (literal)
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- a Donostia International Physics Center, Paseo Manuel de Lardizabal 4, E-20018 San Sebastian
b Centro de Fýsica de Materiales (CSIC, UPV/EHU) and Materials Physics Center MPC, Paseo Manuel de Lardizabal 5, E-20018 San Sebastian, Spain
c Dipartimento di Fisica and CNR-ISC, Università di Roma La Sapienza, Piazzale Aldo Moro 2, I-00185 Roma, Italy
d Departamento de Fýsica de Materiales, Universidad del Paýs Vasco (UPV/EHU), Apartado 1072, E-20080 San Sebastian, Spain (literal)
- Titolo
- Chain dynamics in nonentangled polymer melts: A first-principle approach for the role of intramolecular barriers (literal)
- Abstract
- By means of simulations and numerical solutions of the Mode Coupling Theory (MCT), we investigate the role of intramolecular barriers on the chain dynamics of nonentangled polymer melts. We present a global picture by studying the relaxation of the Rouse modes for a wide range of barrier strength, from fully-flexible to stiff chains. Simulations reveal, on increasing the barrier strength, strong deviations from the Rouse model, as anomalous scaling of relaxation times, long-time plateaux, and nonmonotonic wavelength dependence of the mode correlators. These highly non-trivial dynamics are accounted for by the solutions of the MCT equations. We conclude that MCT constitutes a general, first-principle, approach for chain dynamics in nonentangled polymer melts. (literal)
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