Statistical geometry of packing defects of lattice chain polymer from enumeration and sequential Monte Carlo method

Jie Liang, Jinfeng Zhang, Rong Chen

Research output: Contribution to journalArticlepeer-review

32 Scopus citations

Abstract

A study was conducted on the statistical geometry of voids as topological features in two-dimensional lattice chain polymers. The voids were defined as unfilled space fully contained within the polymer, and have developed a simple algorithm for its detection. It was shown that for chains of >105-110 monomers, at least half of the conformations contain a void.

Original languageEnglish (US)
Pages (from-to)3511-3521
Number of pages11
JournalJournal of Chemical Physics
Volume117
Issue number7
DOIs
StatePublished - Aug 15 2002
Externally publishedYes

All Science Journal Classification (ASJC) codes

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

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