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Modelling Intercalation Kinetics of Polymer Silicate Nanocomposites

Published online by Cambridge University Press:  10 February 2011

J. Y. Lee ,
A. R. C. Baljon ,
R. F. Loring  and
A. Z. Panagiotopoulos
J. Y. Lee
Affiliation:
Department of Chemistry and Chemical Biology, Baker Laboratory, Cornell University, Ithaca, New York 14853
A. R. C. Baljon
Affiliation:
Department of Chemistry and Chemical Biology, Baker Laboratory, Cornell University, Ithaca, New York 14853
R. F. Loring
Affiliation:
Department of Chemistry and Chemical Biology, Baker Laboratory, Cornell University, Ithaca, New York 14853
A. Z. Panagiotopoulos
Affiliation:
Institute for Physical Science and Technology and Department of Chemical Engineering, University of Maryland, College Park, Maryland 20742
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Abstract

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.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 543: Symposium W – Dynamics in Small Confining Systems IV , 1998 , 131
Copyright
Copyright © Materials Research Society 1999

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