Calculation of the free energy of polymeric systems in terms of compositional and orientational order parameters

Junichi Fukuda, Hiroshi Yokoyama

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8 Citations (Scopus)

Abstract

The density functional formalism by Tang and Freed was extended to the calculation of the free energy of polymeric systems in terms of the compositional and the orientational order parameters φ and Qij. As a demonstration, the formalism was applied to the case of flexible Gaussian chains and the "exact" expression for the free energy up to the second order in the gradients were obtained.

Original languageEnglish
Pages (from-to)4930-4937
Number of pages8
JournalJournal of Chemical Physics
Volume115
Issue number10
DOIs
Publication statusPublished - Sep 8 2001
Externally publishedYes

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All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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