Crossover behavior of linear and star polymers in good solvents

Leo Lue, Sergei B. Kiselev

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

Monte Carlo simulation calculations for the mean-square end-to-end distance and second virial coefficient for model linear and star polymers composed of hard spheres with square-well attractions are presented. For these polymers, two types of crossover behavior are observed: (i) crossover from the Gaussian chain to the Kuhnian chain limits and (ii) crossover from the semiflexible chain to the Kuhnian chain limits. A crossover theory for the proper-ties of dilute linear and star polymers under good solvent conditions is presented. This model directly relates the properties of the monomer-monomer interaction to the renormalized parameters of the theory. The predictions of the crossover theory are in good agreement with simulation data. A new equation of state for linear and star polymers in good solvents is presented. The equation of state captures the scaling behavior of polymer solutions in the dilute/semidilute regimes and also performs well in the concentrated regimes, where the details of the monomer-monomer interactions become important. This theory is compared to Monte Carlo simulation data for the volumetric behavior of tangent hard-sphere polymers.
Original languageEnglish
Pages (from-to)117-134
Number of pages18
JournalInternational Journal of Thermophysics
Volume23
Issue number1
DOIs
Publication statusPublished - Jan 2002

Keywords

  • computer simulation
  • star polymers
  • crossover
  • linear polymers
  • scaling
  • penetration function

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