Equation of state for polymer chains in good solvents

Research output: Contribution to journalArticle

10 Citations (Scopus)

Abstract

A free-energy model is developed for polymer chains in good solvents.This model, which combines the ideas of polymer field theory with liquid-state theory, is valid in the dilute, semidilute, and concentrated regimes. The model is compared against computer simulation data for the equation of state of tangent hard-sphere chain fluids. At low concentrations, it accurately describes the thermodynamics of tangent hard-sphere chains, reproducing the universal scaling behavior of long chains. At high concentrations, the model has an accuracy comparable to those of previous equations of state for tangent hard-sphere chains.[S0021-9606(00)51407-X].
LanguageEnglish
Pages3442-3449
Number of pages8
JournalJournal of Chemical Physics
Volume112
Issue number7
DOIs
Publication statusPublished - 15 Feb 2000

Fingerprint

Equations of state
Polymers
equations of state
tangents
polymers
Free energy
low concentrations
computerized simulation
free energy
Thermodynamics
scaling
thermodynamics
Fluids
fluids
Computer simulation
Liquids
liquids

Keywords

  • 2nd virial-coefficient
  • monte-carlo calculation
  • hard-sphere chains
  • critical exponents
  • intramolecular structures
  • chemical-equilibria
  • field-theory
  • molecules
  • simulation
  • fluids

Cite this

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abstract = "A free-energy model is developed for polymer chains in good solvents.This model, which combines the ideas of polymer field theory with liquid-state theory, is valid in the dilute, semidilute, and concentrated regimes. The model is compared against computer simulation data for the equation of state of tangent hard-sphere chain fluids. At low concentrations, it accurately describes the thermodynamics of tangent hard-sphere chains, reproducing the universal scaling behavior of long chains. At high concentrations, the model has an accuracy comparable to those of previous equations of state for tangent hard-sphere chains.[S0021-9606(00)51407-X].",
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Equation of state for polymer chains in good solvents. / Lue, L.

In: Journal of Chemical Physics, Vol. 112, No. 7, 15.02.2000, p. 3442-3449.

Research output: Contribution to journalArticle

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