Abstract

We present molecular dynamics simulations of the flow of macromolecules from a bulk melt into a slit of nanometer dimension with strongly attracting walls. Such flow is central to the formation of polymer-layered silicate nanocomposites by direct melt intercalation. In this process, polymer molecules flow from a melt into the galleries between the sheets that compose a mica-type layered silicate. We present a systematic study of the effects of polymer molecular weight and polymer-surface interactions on the flow dynamics.

Keywords

PolymerMicaSilicateFlow (mathematics)Materials scienceIntercalation (chemistry)Molecular dynamicsChemical physicsMacromoleculeChemical engineeringComposite materialChemistryMechanicsComputational chemistryPhysics

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Publication Info

Year
1999
Type
article
Volume
111
Issue
19
Pages
9068-9072
Citations
32
Access
Closed

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Arlette R. C. Baljon, Jae Youn Lee, Roger F. Loring (1999). Molecular view of polymer flow into a strongly attractive slit. The Journal of Chemical Physics , 111 (19) , 9068-9072. https://doi.org/10.1063/1.480248

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DOI
10.1063/1.480248