DOI: 10.1063/1.1404390. Density-functional theory of the crystallization of hard polymeric chains

Density-functional theory of the crystallization of hard polymeric chains

10.1063/1.1404390

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

We study how connectivity influences the crystallization of fully flexible model polymers by applying a recently advanced amalgamation of the Green-function description of polymers, and the density-functional theory of simple liquids. Our calculations show that the model polymers only crystallize if the effective Kuhn length of the chains is sufficiently large compared with the range of the hard-core interaction between the segments. Also shown is the importance of bond-length fluctuations for the stability of the crystal phase.

Bibliography

Sushko, N., van der Schoot, P., & Michels, M. A. J. (2001). Density-functional theory of the crystallization of hard polymeric chains. The Journal of Chemical Physics, 115(16), 7744â7752.

Authors 3

Nazar Sushko (first)
Paul van der Schoot (additional)
M. A. J. Michels (additional)

References 38 Referenced 17

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Dates

Type	When
Created	23 years, 1 month ago (July 26, 2002, 8:45 a.m.)
Deposited	1 year, 6 months ago (Feb. 7, 2024, 1:28 p.m.)
Indexed	1 month, 3 weeks ago (July 2, 2025, 3:46 p.m.)
Issued	23 years, 10 months ago (Oct. 22, 2001)
Published	23 years, 10 months ago (Oct. 22, 2001)
Published Print	23 years, 10 months ago (Oct. 22, 2001)

Funders 0

None

BibTeX

@article{Sushko_2001, title={Density-functional theory of the crystallization of hard polymeric chains}, volume={115}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1404390}, DOI={10.1063/1.1404390}, number={16}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Sushko, Nazar and van der Schoot, Paul and Michels, M. A. J.}, year={2001}, month=oct, pages={7744–7752} }

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