Theory of dynamic barriers, activated hopping, and the glass transition in polymer melts

Kenneth S. Schweizer, Erica J. Saltzman

Research output: Contribution to journalArticle

Abstract

The methods of mode coupling, density functional, and activated hopping transport theories were used for developing a statistical mechanical theory of slow segmental relaxation, dynamic barriers, and the glass transition of polymer melts. The melt was treated as a liquid of segments and a coarse-grained description of polymer chains was adopted. The theory was based on the assumption that in the deeply supercooled regime, the collective density fluctuations on length scales considerably longer than the local cage scale of primary importance. The treatment of full chain dynamics, barrier fluctuations, heterogeneity and glass forming liquids by the theory was also discussed.

Original languageEnglish (US)
Pages (from-to)1984-2000
Number of pages17
JournalJournal of Chemical Physics
Volume121
Issue number4
DOIs
StatePublished - Jul 22 2004

Fingerprint

Polymer melts
Glass transition
glass
transport theory
polymers
Liquids
liquids
coupled modes
Polymers
Glass

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Theory of dynamic barriers, activated hopping, and the glass transition in polymer melts. / Schweizer, Kenneth S.; Saltzman, Erica J.

In: Journal of Chemical Physics, Vol. 121, No. 4, 22.07.2004, p. 1984-2000.

Research output: Contribution to journalArticle

@article{96bfc24f54ae4618a717d3836e1cb477,
title = "Theory of dynamic barriers, activated hopping, and the glass transition in polymer melts",
abstract = "The methods of mode coupling, density functional, and activated hopping transport theories were used for developing a statistical mechanical theory of slow segmental relaxation, dynamic barriers, and the glass transition of polymer melts. The melt was treated as a liquid of segments and a coarse-grained description of polymer chains was adopted. The theory was based on the assumption that in the deeply supercooled regime, the collective density fluctuations on length scales considerably longer than the local cage scale of primary importance. The treatment of full chain dynamics, barrier fluctuations, heterogeneity and glass forming liquids by the theory was also discussed.",
author = "Schweizer, {Kenneth S.} and Saltzman, {Erica J.}",
year = "2004",
month = "7",
day = "22",
doi = "10.1063/1.1756854",
language = "English (US)",
volume = "121",
pages = "1984--2000",
journal = "Journal of Chemical Physics",
issn = "0021-9606",
publisher = "American Institute of Physics Publising LLC",
number = "4",

}

TY - JOUR

T1 - Theory of dynamic barriers, activated hopping, and the glass transition in polymer melts

AU - Schweizer, Kenneth S.

AU - Saltzman, Erica J.

PY - 2004/7/22

Y1 - 2004/7/22

N2 - The methods of mode coupling, density functional, and activated hopping transport theories were used for developing a statistical mechanical theory of slow segmental relaxation, dynamic barriers, and the glass transition of polymer melts. The melt was treated as a liquid of segments and a coarse-grained description of polymer chains was adopted. The theory was based on the assumption that in the deeply supercooled regime, the collective density fluctuations on length scales considerably longer than the local cage scale of primary importance. The treatment of full chain dynamics, barrier fluctuations, heterogeneity and glass forming liquids by the theory was also discussed.

AB - The methods of mode coupling, density functional, and activated hopping transport theories were used for developing a statistical mechanical theory of slow segmental relaxation, dynamic barriers, and the glass transition of polymer melts. The melt was treated as a liquid of segments and a coarse-grained description of polymer chains was adopted. The theory was based on the assumption that in the deeply supercooled regime, the collective density fluctuations on length scales considerably longer than the local cage scale of primary importance. The treatment of full chain dynamics, barrier fluctuations, heterogeneity and glass forming liquids by the theory was also discussed.

UR - http://www.scopus.com/inward/record.url?scp=3442888575&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=3442888575&partnerID=8YFLogxK

U2 - 10.1063/1.1756854

DO - 10.1063/1.1756854

M3 - Article

C2 - 15260751

AN - SCOPUS:3442888575

VL - 121

SP - 1984

EP - 2000

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 4

ER -