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Photo Jan Forsman

Jan Forsman

Professor

Photo Jan Forsman

Density functional theory for polymer fluids with molecular weight polydispersity

Author

  • Clifford E Woodward
  • Jan Forsman

Summary, in English

We develop a density-functional theory for polydisperse polymer fluids satisfying the Schulz-Flory distribution. The resulting equations are remarkably simple and quickly solved, the computational effort scaling with the polydispersity index, rather than the average molecular weight. Equilibrium, or "living", polymers enter naturally as very polydisperse samples. We illustrate the importance of polydispersity on colloid stability by investigating interactions between adsorbing and nonadsorbing surfaces. Significant free energy barriers are present in monodisperse samples, but these diminish as the degree of polydispersity increases.

Department/s

  • Computational Chemistry

Publishing year

2008

Language

English

Publication/Series

Physical Review Letters

Volume

100

Issue

9

Document type

Journal article

Publisher

American Physical Society

Topic

  • Theoretical Chemistry (including Computational Chemistry)

Status

Published

ISBN/ISSN/Other

  • ISSN: 1079-7114