Free volume properties of a linear soft polymer: A computer simulation study

Marcello Sega, Pál Jedlovszky, Nikolai N. Medvedev, Renzo Vallauri

Research output: Contribution to journalArticle

20 Citations (Scopus)

Abstract

Molecular dynamics simulation of a linear soft polymer was performed and the free volume properties of the system were analyzed in terms of the Voronoi polyhedra of the monomers. It was observed that only small density fluctuations are present in the system. The local environment of the monomers was found to be rather spherical, when compared with liquids of atoms or small molecules. It was also found that the monomers are coordinated by their nearest geometric neighbors, including intra-chain and inter-chain ones.

Original languageEnglish
Pages (from-to)2422-2427
Number of pages6
JournalJournal of Chemical Physics
Volume121
Issue number5
DOIs
Publication statusPublished - Aug 1 2004

ASJC Scopus subject areas

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

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