Chain and local dynamics of polyisoprene as probed by experiments and computer simulations

M. Doxastakis; D. N. Theodorou; G. Fytas; F. Kremer; R. Faller; F. Müller-Plathe; N. Hadjichristidis

doi:10.1063/1.1603720

Chain and local dynamics of polyisoprene as probed by experiments and computer simulations

M. Doxastakis, D. N. Theodorou^*, G. Fytas, F. Kremer, R. Faller, F. Müller-Plathe, N. Hadjichristidis

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

84 Scopus citations

Abstract

The dynamics of low molecular weight polyisoprene was investigated over a broad temperature window using dielectric relaxation spectroscopy and pulsed field gradient nuclear magnetic resonance. Molecular dynamics simulations performed using two different models captured very well the dynamic properties documented experimentally. Experimental data and a normal mode analysis on simulation trajectories showed that chain dynamics over the molecular weight and temperature range studied could be described well by the Rouse model.

Original language	English (US)
Pages (from-to)	6883-6894
Number of pages	12
Journal	JOURNAL OF CHEMICAL PHYSICS
Volume	119
Issue number	13
DOIs	https://doi.org/10.1063/1.1603720
State	Published - Oct 1 2003
Externally published	Yes

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

Access to Document

10.1063/1.1603720

Cite this

@article{359adcb8d8cc4979a1d36000a5136932,

title = "Chain and local dynamics of polyisoprene as probed by experiments and computer simulations",

abstract = "The dynamics of low molecular weight polyisoprene was investigated over a broad temperature window using dielectric relaxation spectroscopy and pulsed field gradient nuclear magnetic resonance. Molecular dynamics simulations performed using two different models captured very well the dynamic properties documented experimentally. Experimental data and a normal mode analysis on simulation trajectories showed that chain dynamics over the molecular weight and temperature range studied could be described well by the Rouse model.",

author = "M. Doxastakis and Theodorou, {D. N.} and G. Fytas and F. Kremer and R. Faller and F. M{\"u}ller-Plathe and N. Hadjichristidis",

year = "2003",

month = oct,

day = "1",

doi = "10.1063/1.1603720",

language = "English (US)",

volume = "119",

pages = "6883--6894",

journal = "JOURNAL OF CHEMICAL PHYSICS",

issn = "0021-9606",

publisher = "AIP Publishing",

number = "13",

}

TY - JOUR

T1 - Chain and local dynamics of polyisoprene as probed by experiments and computer simulations

AU - Doxastakis, M.

AU - Theodorou, D. N.

AU - Fytas, G.

AU - Kremer, F.

AU - Faller, R.

AU - Müller-Plathe, F.

AU - Hadjichristidis, N.

PY - 2003/10/1

Y1 - 2003/10/1

N2 - The dynamics of low molecular weight polyisoprene was investigated over a broad temperature window using dielectric relaxation spectroscopy and pulsed field gradient nuclear magnetic resonance. Molecular dynamics simulations performed using two different models captured very well the dynamic properties documented experimentally. Experimental data and a normal mode analysis on simulation trajectories showed that chain dynamics over the molecular weight and temperature range studied could be described well by the Rouse model.

AB - The dynamics of low molecular weight polyisoprene was investigated over a broad temperature window using dielectric relaxation spectroscopy and pulsed field gradient nuclear magnetic resonance. Molecular dynamics simulations performed using two different models captured very well the dynamic properties documented experimentally. Experimental data and a normal mode analysis on simulation trajectories showed that chain dynamics over the molecular weight and temperature range studied could be described well by the Rouse model.

UR - http://www.scopus.com/inward/record.url?scp=0142052900&partnerID=8YFLogxK

U2 - 10.1063/1.1603720

DO - 10.1063/1.1603720

M3 - Article

AN - SCOPUS:0142052900

SN - 0021-9606

VL - 119

SP - 6883

EP - 6894

JO - JOURNAL OF CHEMICAL PHYSICS

JF - JOURNAL OF CHEMICAL PHYSICS

IS - 13

ER -

Chain and local dynamics of polyisoprene as probed by experiments and computer simulations

Abstract

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Cite this