Effects of tube persistence length on dynamics of mildly entangled polymers

Jian Qin, Scott Thomas Milner, Pavlos S. Stephanou, Vlasis G. Mavrantzas

Research output: Contribution to journalArticle

15 Citations (Scopus)

Abstract

Recent atomistic simulations of polyethylene melt afford a close look at the entanglement dynamics of a real polymer. We analyze these results in a new way, by defining the tube primitive path as the mean path of consecutive molecular dynamics trajectories. The result suggests that tube is semiflexible, the persistence length being about half the entanglement length. The time dependent tangent-tangent correlation function of tube primitive path is then used to test the standard molecular model of tube dynamics. It is found that the effect of the semiflexibility is important in the mildly entangled system we studied and that incorporating its effect into the standard tube model improves the theory drastically.

Original languageEnglish (US)
Pages (from-to)707-723
Number of pages17
JournalJournal of Rheology
Volume56
Issue number4
DOIs
StatePublished - Jul 1 2012

Fingerprint

Polymers
tubes
polymers
Polyethylene
Molecular dynamics
Polyethylenes
tangents
Trajectories
polyethylenes
trajectories
molecular dynamics
simulation

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering
  • Materials Science(all)

Cite this

Qin, Jian ; Milner, Scott Thomas ; Stephanou, Pavlos S. ; Mavrantzas, Vlasis G. / Effects of tube persistence length on dynamics of mildly entangled polymers. In: Journal of Rheology. 2012 ; Vol. 56, No. 4. pp. 707-723.
@article{e10d2a58294c427abc59f6cc18980d68,
title = "Effects of tube persistence length on dynamics of mildly entangled polymers",
abstract = "Recent atomistic simulations of polyethylene melt afford a close look at the entanglement dynamics of a real polymer. We analyze these results in a new way, by defining the tube primitive path as the mean path of consecutive molecular dynamics trajectories. The result suggests that tube is semiflexible, the persistence length being about half the entanglement length. The time dependent tangent-tangent correlation function of tube primitive path is then used to test the standard molecular model of tube dynamics. It is found that the effect of the semiflexibility is important in the mildly entangled system we studied and that incorporating its effect into the standard tube model improves the theory drastically.",
author = "Jian Qin and Milner, {Scott Thomas} and Stephanou, {Pavlos S.} and Mavrantzas, {Vlasis G.}",
year = "2012",
month = "7",
day = "1",
doi = "10.1122/1.4708594",
language = "English (US)",
volume = "56",
pages = "707--723",
journal = "Journal of Rheology",
issn = "0148-6055",
publisher = "Society of Rheology",
number = "4",

}

Effects of tube persistence length on dynamics of mildly entangled polymers. / Qin, Jian; Milner, Scott Thomas; Stephanou, Pavlos S.; Mavrantzas, Vlasis G.

In: Journal of Rheology, Vol. 56, No. 4, 01.07.2012, p. 707-723.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Effects of tube persistence length on dynamics of mildly entangled polymers

AU - Qin, Jian

AU - Milner, Scott Thomas

AU - Stephanou, Pavlos S.

AU - Mavrantzas, Vlasis G.

PY - 2012/7/1

Y1 - 2012/7/1

N2 - Recent atomistic simulations of polyethylene melt afford a close look at the entanglement dynamics of a real polymer. We analyze these results in a new way, by defining the tube primitive path as the mean path of consecutive molecular dynamics trajectories. The result suggests that tube is semiflexible, the persistence length being about half the entanglement length. The time dependent tangent-tangent correlation function of tube primitive path is then used to test the standard molecular model of tube dynamics. It is found that the effect of the semiflexibility is important in the mildly entangled system we studied and that incorporating its effect into the standard tube model improves the theory drastically.

AB - Recent atomistic simulations of polyethylene melt afford a close look at the entanglement dynamics of a real polymer. We analyze these results in a new way, by defining the tube primitive path as the mean path of consecutive molecular dynamics trajectories. The result suggests that tube is semiflexible, the persistence length being about half the entanglement length. The time dependent tangent-tangent correlation function of tube primitive path is then used to test the standard molecular model of tube dynamics. It is found that the effect of the semiflexibility is important in the mildly entangled system we studied and that incorporating its effect into the standard tube model improves the theory drastically.

UR - http://www.scopus.com/inward/record.url?scp=84878963679&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84878963679&partnerID=8YFLogxK

U2 - 10.1122/1.4708594

DO - 10.1122/1.4708594

M3 - Article

AN - SCOPUS:84878963679

VL - 56

SP - 707

EP - 723

JO - Journal of Rheology

JF - Journal of Rheology

SN - 0148-6055

IS - 4

ER -