Topological analysis of linear polymer melts: A statistical approach

Tzoumanekas, C; Theodorou, DN

dc.contributor.author	Tzoumanekas, C	en
dc.contributor.author	Theodorou, DN	en
dc.date.accessioned	2014-03-01T01:25:25Z
dc.date.available	2014-03-01T01:25:25Z
dc.date.issued	2006	en
dc.identifier.issn	0024-9297	en
dc.identifier.uri	https://dspace.lib.ntua.gr/xmlui/handle/123456789/17654
dc.subject	Statistical Approach	en
dc.subject	Topological Analysis	en
dc.subject.classification	Polymer Science	en
dc.subject.other	Polymer melts	en
dc.subject.other	Topological analysis	en
dc.subject.other	Topological measures	en
dc.subject.other	Constraint theory	en
dc.subject.other	Data acquisition	en
dc.subject.other	Microscopic examination	en
dc.subject.other	Monomers	en
dc.subject.other	Statistical methods	en
dc.subject.other	Topology	en
dc.subject.other	Polymers	en
dc.title	Topological analysis of linear polymer melts: A statistical approach	en
heal.type	journalArticle	en
heal.identifier.primary	10.1021/ma0607057	en
heal.identifier.secondary	http://dx.doi.org/10.1021/ma0607057	en
heal.language	English	en
heal.publicationDate	2006	en
heal.abstract	We introduce an algorithm for the reduction of a computer generated atomistic polymer sample to an entanglement network of primitive paths. These networks are structural representations of the topology underlying a polymer melt. By examining network ensembles of polyethylene and cis-1,4-polybutadiene melts, we provide topological measures and statistical properties of primitive paths. We present the radial distribution function of entanglements and the distribution of the number of monomers between entanglements. A renewal point process that generates entanglement events along the monomer sequence of a chain is found to describe the statistics of detected topological constraints. We discuss chain thickness effects on topological measures and provide a method for detecting persistent chain contacts in melt configurations. A suitable scaling of acquired data leads to a unifying microscopic topological description of the melts studied. © 2006 American Chemical Society.	en
heal.publisher	AMER CHEMICAL SOC	en
heal.journalName	Macromolecules	en
dc.identifier.doi	10.1021/ma0607057	en
dc.identifier.isi	ISI:000238385900047	en
dc.identifier.volume	39	en
dc.identifier.issue	13	en
dc.identifier.spage	4592	en
dc.identifier.epage	4604	en