Monte Carlo study of the second virial coefficient and statistical exponent of star polymers with large numbers of branches

Kazuhito Shida, Kaoru Ohno, Masayuki Kimura, Yoshiyuki Kawazoe

Research output: Contribution to journalArticlepeer-review

7 Citations (Scopus)

Abstract

Computer simulations on the self- and mutual-avoiding effects of two star polymers in a good solvent are reported where the number f of the branches has been extended to the region where no experimental results are yet available. A simple and efficient Monte Carlo (MC) sampling technique was used for the lattice-model simulations. Calculations were performed for 8- to 24-arm star polymers, which complement our previous work and also Rubio et al.'s off-lattice MC simulations. The radius of gyration, the total number of configurations, and its exponent γ(f) are evaluated. The values of γ(f) obtained are consistent with the large f behavior to approximately f3/2 predicted by Ohno. The pair-distribution function, the second virial coefficient, and the penetration function are also evaluated. The first order ε-expansion, which is a naive approximation of the penetration function, has been known to become increasingly inaccurate for large f. The results of the simulations give further confirmation of the inaccuracy.

Original languageEnglish
Pages (from-to)7655-7662
Number of pages8
JournalMacromolecules
Volume33
Issue number20
DOIs
Publication statusPublished - 2000 Oct 3

ASJC Scopus subject areas

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

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