Coarse-grained description of polymer blends as interacting soft-colloidal particles

We present a theoretical approach which maps polymer blends onto mixtures of soft-colloidal particles. The analytical mesoscale pair correlation functions reproduce well data from united atom molecular dynamics simulations of polyolefin mixtures without fitting parameters. The theory exactly recover...

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Bibliographic Details
Published inThe Journal of chemical physics Vol. 122; no. 5; p. 54907
Main Authors Yatsenko, G, Sambriski, E J, Guenza, M G
Format Journal Article
LanguageEnglish
Published United States 01.02.2005
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Summary:We present a theoretical approach which maps polymer blends onto mixtures of soft-colloidal particles. The analytical mesoscale pair correlation functions reproduce well data from united atom molecular dynamics simulations of polyolefin mixtures without fitting parameters. The theory exactly recovers the analytical expressions for density and concentration fluctuation structure factors of soft-colloidal mixtures (liquid alloys).
ISSN:0021-9606
DOI:10.1063/1.1835271