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Calculating Phase Diagrams of Polymer-Clay Mixtures by Combining Density Functional and Self-Consistent Field Theory

Published online by Cambridge University Press:  10 February 2011

Anna C. Balazs ,
Chandralekha Singh  and
Valeriy V. Ginzburg
Anna C. Balazs
Affiliation:
Department of Chemical and Petroleum Engineering, University of Pittsburgh, Pittsburgh PA 15261
Chandralekha Singh
Affiliation:
Department of Chemical and Petroleum Engineering, University of Pittsburgh, Pittsburgh PA 15261
Valeriy V. Ginzburg
Affiliation:
Department of Chemical and Petroleum Engineering, University of Pittsburgh, Pittsburgh PA 15261
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Abstract

We analyze the thermodynamics of polymer-clay mixtures within the framework of density functional theory (DFT). The interaction potential between clay particles is calculated using the self-consistent field (SCF) method and is strongly dependent on the length and density of grafted short-chain organic modifiers. By combining the DFT and SCF techniques, we determine the role of the grafted chains on the equilibrium phase behavior of the mixtures.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 576: Symposium DD – Organic/Inorganic Hybrid Materials II , 1999 , 143
Copyright
Copyright © Materials Research Society 1999

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References

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