Modelling intercalation kinetics of polymer silicate nanocomposites

J. Y. Lee, A. R.C. Baljon, R. F. Loring, A. Z. Panagiotopoulos

Research output: Contribution to journalConference articlepeer-review

3 Scopus citations


Polymer layered silicates form an important class of nanocomposite materials. During their formation by melt intercalation, polymer molecules from a bulk fluid move into the galleries of layered silicates. An essential feature of this process is the flow of macromolecules from a bulk fluid to a confined environment. To model this phenomenon, we have performed molecular dynamics simulations of the flow of polymer molecules from a bulk melt into a rectangular slit. The simulations are consistent with a diffusive description of the transport, and show qualitative agreement with time-dependent x-ray diffraction measurements of intercalation kinetics in layered nanocomposites.

Original languageEnglish (US)
Pages (from-to)131-135
Number of pages5
JournalMaterials Research Society Symposium - Proceedings
StatePublished - 1999
Externally publishedYes
EventProceedings of the 1998 MRS Fall Meeting - The Symposium 'Advanced Catalytic Materials-1998' - Boston, MA, USA
Duration: Nov 30 1998Dec 3 1998

All Science Journal Classification (ASJC) codes

  • General Materials Science
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering


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