Theoretical consideration on the glass transition behavior of polymer nanocomposites

Kyung Ju Lee, Do Kyoung Lee, Yong Woo Kim, Woo Seok Choe, Jong Hak Kim

Research output: Contribution to journalArticle

42 Citations (Scopus)

Abstract

We have developed a new molecular thermodynamic model to predict the glass transition temperature (Tg) of nanocomposites consisting of polymer (1) and nanoparticle (2) based on the configurational entropy model and the Flory-Huggins theory. Four configurational entropies have been taken into account in this study: the disorientation entropy of the polymer (S dis-1), the confinement entropy of the nanoparticle (S con-2), the mixing (Smix-12), and the specific interaction entropies (Sspe-12) of the polymer/nanoparticle. Quantitative descriptions according to the proposed model are consistent with experimental Tg data of polymer nanocomposites. Our results demonstrate that Tg values of polymer nanocomposites can be enhanced or depressed relative to neat polymer depending on the intensity of specific interaction between polymer and nanoparticles, which is quantitatively identified by a physical parameter (yspe) in this model.

Original languageEnglish
Pages (from-to)2232-2238
Number of pages7
JournalJournal of Polymer Science, Part B: Polymer Physics
Volume45
Issue number16
DOIs
Publication statusPublished - 2007 Aug 15

Fingerprint

Glass transition
Nanocomposites
nanocomposites
Polymers
glass
Entropy
polymers
entropy
Nanoparticles
nanoparticles
disorientation
glass transition temperature
interactions
Thermodynamics
thermodynamics

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics
  • Physical and Theoretical Chemistry
  • Polymers and Plastics
  • Materials Chemistry

Cite this

Lee, Kyung Ju ; Lee, Do Kyoung ; Kim, Yong Woo ; Choe, Woo Seok ; Kim, Jong Hak. / Theoretical consideration on the glass transition behavior of polymer nanocomposites. In: Journal of Polymer Science, Part B: Polymer Physics. 2007 ; Vol. 45, No. 16. pp. 2232-2238.
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Theoretical consideration on the glass transition behavior of polymer nanocomposites. / Lee, Kyung Ju; Lee, Do Kyoung; Kim, Yong Woo; Choe, Woo Seok; Kim, Jong Hak.

In: Journal of Polymer Science, Part B: Polymer Physics, Vol. 45, No. 16, 15.08.2007, p. 2232-2238.

Research output: Contribution to journalArticle

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AB - We have developed a new molecular thermodynamic model to predict the glass transition temperature (Tg) of nanocomposites consisting of polymer (1) and nanoparticle (2) based on the configurational entropy model and the Flory-Huggins theory. Four configurational entropies have been taken into account in this study: the disorientation entropy of the polymer (S dis-1), the confinement entropy of the nanoparticle (S con-2), the mixing (Smix-12), and the specific interaction entropies (Sspe-12) of the polymer/nanoparticle. Quantitative descriptions according to the proposed model are consistent with experimental Tg data of polymer nanocomposites. Our results demonstrate that Tg values of polymer nanocomposites can be enhanced or depressed relative to neat polymer depending on the intensity of specific interaction between polymer and nanoparticles, which is quantitatively identified by a physical parameter (yspe) in this model.

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