Matrix-induced nanoparticle interactions in a polymer melt: A molecular dynamics simulation study

Dmitry Bedrov, Grant D. Smith, James S. Smith

Research output: Contribution to journalArticle

68 Scopus citations

Abstract

An extensive MD simulation study of interactions between two nanoparticles in the polymer melt matrix was conducted as a function of nanoparticle-polymer interaction and polymer molecular weight. It was found that in the nonathermal systems with relatively repulsive nanoparticle-polymer interactions, the energetic contributions dominates the POMF between two nanoparticles.

Original languageEnglish (US)
Pages (from-to)10438-10447
Number of pages10
JournalJournal of Chemical Physics
Volume119
Issue number19
DOIs
StatePublished - Nov 15 2003
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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