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

Jun Ichi Fukuda; Hiroshi Yokoyama

doi:10.1063/1.1395561

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

Jun Ichi Fukuda, Hiroshi Yokoyama

Research output: Contribution to journal › Article › peer-review

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 Q_ij. 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 language	English
Pages (from-to)	4930-4937
Number of pages	8
Journal	Journal of Chemical Physics
Volume	115
Issue number	10
DOIs	https://doi.org/10.1063/1.1395561
Publication status	Published - Sept 8 2001
Externally published	Yes

All Science Journal Classification (ASJC) codes

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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10.1063/1.1395561

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N2 - 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.

AB - 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.

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JO - Journal of Chemical Physics

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

Abstract

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