Effect of cation exchange capacity on the structure and dynamics of poly(ethylene oxide) in Li+ montmorillonite nanocomposites
Version of Record online: 25 OCT 2005
Copyright © 2005 Wiley Periodicals, Inc.
Journal of Polymer Science Part B: Polymer Physics
Special Issue: The American Physical Society Division of Polymer Physics Special Issue
Volume 43, Issue 23, pages 3460–3477, 1 December 2005
How to Cite
Kuppa, V. and Manias, E. (2005), Effect of cation exchange capacity on the structure and dynamics of poly(ethylene oxide) in Li+ montmorillonite nanocomposites. J. Polym. Sci. B Polym. Phys., 43: 3460–3477. doi: 10.1002/polb.20644
- Issue online: 25 OCT 2005
- Version of Record online: 25 OCT 2005
- Manuscript Accepted: 21 JUL 2005
- Manuscript Revised: 11 JUL 2005
- Manuscript Received: 2 MAY 2005
- ACS/PRF (PRF. Grant Number: 37,274-G5
- “Materials Simulation Center” (a Penn-State Center for Nanoscale Science (MRSEC-NSF) and MRI facility) and by IGERT. Grant Number: 9987589
- “Virginia S. and Philip L. Walker Jr.” endowment faculty fellowship
REFERENCES AND NOTES
- 2In Polymer-Clay Nanocomposites; Pinnavaia, T. J.; Beall, G. W., Eds.; Wiley: New York, 2001; p 229.
- 22In reality, the negative charges of the montmorillonite layer originates from defects—mostly in the octahedral trivalent-Al positions, which are isomorphically substituted by divalent metals (such as Mn and Fe). In our montmorillonite model, we do not define explicit defect sites, rather we smeared the defect charge equally to all Al sites in the silicate lattice. For details and models that explicitly account for such lattice defents, one can refer to other literature, for example, to a recent article by Heinz and Suter (see ref. 23) and references therein.
- 24Formation and Properties of Clay Polymer Complexes; Elsevier: New York, 1979.
- 30Intermolecular and Surface Forces; Academic Press: London, 1991.
- 33A clear gradation in structure is captured for the bulk—unconfined—systems by the order parameters studied here as the temperature increases above 323 K, despite the relatively short length of the simulated PEO chains, which are not expected to develop genuine crystalline structures even for the unconfined/bulk systems. This behavior stems from the fact that the order parameters defined here are highly sensitive to local/interatomic structures, and are not purely a measure of long-range order in the systems.
- 35Statistical Mechanics; University Science Books: Herndon, VA, 2000; p 20.
- 38The diffusion coefficients shown in Figure 8 were calculated from the slopes of mean square displacement curves, which look Fickian in form throughout the simulated time interval of 5 ns, and correspond to hopping cation motions as discussed in previous work (see ref. 18).