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.
LanguageEnglish
Pages117-134
Number of pages18
JournalInternational Journal of Thermophysics
Volume23
Issue number1
DOIs
Publication statusPublished - Jan 2002

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crossovers
stars
polymers
monomers
data simulation
equations of state
square wells
virial coefficients
tangents
attraction
interactions
scaling
predictions
simulation

Keywords

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

Cite this

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title = "Crossover behavior of linear and star polymers in good solvents",
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.",
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Crossover behavior of linear and star polymers in good solvents. / Lue, Leo; Kiselev, Sergei B.

In: International Journal of Thermophysics, Vol. 23, No. 1, 01.2002, p. 117-134.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Crossover behavior of linear and star polymers in good solvents

AU - Lue, Leo

AU - Kiselev, Sergei B.

N1 - 527MX INT J THERMOPHYS

PY - 2002/1

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N2 - 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.

AB - 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.

KW - computer simulation

KW - star polymers

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KW - scaling

KW - penetration function

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