Single-Chain Structure in Model Polyethylene Melts

John D. McCoy, Kevin G. Honnell, John G. Curro, Kenneth S Schweizer, J. Dana Honeycutt

Research output: Contribution to journalArticlepeer-review

Abstract

The rotational isomeric state (RIS) model is usually considered to be an excellent description of the single-chain structure of polymer chains both in the melt and in Θ solvents. The manifestation of this single-chain structure (commonly measured by scattering experiments) is the correlation function ω(r), which is the probability that two sites on the same chain are separated by a distance r. The evaluation of ω(r) from the RIS model requires laborious statistical averages, and, as a consequence, various approximations of ω(r) are of importance. Previous approximation schemes have focused on the long-wavelength regime. However, many physical phenomena and properties are very sensitive to local correlations and understanding such behavior requires an approximate ω(r) which is accurate on all length scales. We present such an approximation here and compare it to both computer simulation and previous, more coarse-grained approaches.

Original languageEnglish (US)
Pages (from-to)4905-4910
Number of pages6
JournalMacromolecules
Volume25
Issue number19
DOIs
StatePublished - Sep 1 1992

ASJC Scopus subject areas

  • Organic Chemistry
  • Polymers and Plastics
  • Inorganic Chemistry
  • Materials Chemistry

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