Entanglement relaxation time in polyethylene: Simulation versus experimental data

Ramos, J; Vega, JF; Theodorou, DN; Martinez-Salazar, J

dc.contributor.author	Ramos, J	en
dc.contributor.author	Vega, JF	en
dc.contributor.author	Theodorou, DN	en
dc.contributor.author	Martinez-Salazar, J	en
dc.date.accessioned	2014-03-01T01:28:16Z
dc.date.available	2014-03-01T01:28:16Z
dc.date.issued	2008	en
dc.identifier.issn	0024-9297	en
dc.identifier.uri	https://dspace.lib.ntua.gr/xmlui/handle/123456789/18793
dc.subject	Experimental Data	en
dc.subject	Polyethylene	en
dc.subject	Relaxation Time	en
dc.subject.classification	Polymer Science	en
dc.subject.other	Computer simulation	en
dc.subject.other	Elastic moduli	en
dc.subject.other	Relaxation processes	en
dc.subject.other	Viscoelasticity	en
dc.subject.other	Plateau modulus	en
dc.subject.other	Relaxation shear modulus	en
dc.subject.other	Polyethylenes	en
dc.title	Entanglement relaxation time in polyethylene: Simulation versus experimental data	en
heal.type	journalArticle	en
heal.identifier.primary	10.1021/ma702445e	en
heal.identifier.secondary	http://dx.doi.org/10.1021/ma702445e	en
heal.language	English	en
heal.publicationDate	2008	en
heal.abstract	A combined computer simulation and experimental study describing the viscoelastic properties of linear polyethylene is presented. For the simulation, a set of C1000 polyethylene models were equilibrated using advanced Monte Carlo moves. Then, MD trajectories were calculated. From these simulations the entanglement molecular weight, Me, and the entanglement relaxation time, τe, were directly obtained. By introducing the experimental value for the plateau modulus and the simulated values for M e and τe into the reptation model, one finds that the derived curves of the relaxation shear modulus nicely coincide with the experimental ones. © 2008 American Chemical Society.	en
heal.publisher	AMER CHEMICAL SOC	en
heal.journalName	Macromolecules	en
dc.identifier.doi	10.1021/ma702445e	en
dc.identifier.isi	ISI:000255008400028	en
dc.identifier.volume	41	en
dc.identifier.issue	8	en
dc.identifier.spage	2959	en
dc.identifier.epage	2962	en