Orientational cross correlations between entangled branch polymers in primitive chain network simulations

Yuichi Masubuchi, Ankita Pandey, Yoshifumi Amamoto, Takashi Uneyama

Research output: Contribution to journalArticlepeer-review

7 Citations (Scopus)

Abstract

Although it has not been frequently discussed, contributions of the orientational cross-correlation (OCC) between entangled polymers are not negligible in the relaxation modulus. In the present study, OCC contributions were investigated for 4- and 6-arm star-branched and H-branched polymers by means of multi-chain slip-link simulations. Owing to the molecular-level description of the simulation, the segment orientation was traced separately for each molecule as well as each subchain composing the molecules. Then, the OCC was calculated between different molecules and different subchains. The results revealed that the amount of OCC between different molecules is virtually identical to that of linear polymers regardless of the branching structure. The OCC between constituent subchains of the same molecule is significantly smaller than the OCC between different molecules, although its intensity and time-dependent behavior depend on the branching structure as well as the molecular weight. These results lend support to the single-chain models given that the OCC effects are embedded into the stress-optical coefficient, which is independent of the branching structure.

Original languageEnglish
Article number184903
JournalJournal of Chemical Physics
Volume147
Issue number18
DOIs
Publication statusPublished - Nov 14 2017
Externally publishedYes

All Science Journal Classification (ASJC) codes

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

Fingerprint

Dive into the research topics of 'Orientational cross correlations between entangled branch polymers in primitive chain network simulations'. Together they form a unique fingerprint.

Cite this