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Surface instabilities of minority chains in dense polymer brushes: A comparison of density functional theory and quasi-off-lattice self-consistent field theory
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10.1063/1.4742934
/content/aip/journal/jcp/137/6/10.1063/1.4742934
http://aip.metastore.ingenta.com/content/aip/journal/jcp/137/6/10.1063/1.4742934
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

(Upper panel) Brush density profiles at four values of the grafting density: σ = 0.05 (purple), 0.1 (black), 0.2 (red), and 0.4 (blue). (Lower panel) Same as the upper panel, but for the end-monomer distributions (here σ = 0.1 is not shown).

Image of FIG. 2.
FIG. 2.

Average vertical position of the end-monomer of the minority chain of length N* inside a monodisperse polymer brush of majority chains of length N = 64 at three values of the grafting density: σ = 0.1 (black), 0.2 (red), and 0.4 (blue). Solid lines: DFT method, dashed lines: SCF1 approach, dotted lines: SCF2 approach.

Image of FIG. 3.
FIG. 3.

Same as Figure 2, but for the polymer brush of majority chains of length N = 128. Additionally here: σ = 0.05 (purple).

Image of FIG. 4.
FIG. 4.

The DFT results for the average vertical position of the end-monomer of the minority chain of length N* scaled by the length of the majority chains in the brush, ⟨z e ⟩/N versus the difference in chain length between minority and majority chains, N* − N. The results are shown for three different values of the majority chain length, N = 64 (squares), 128 (crosses), and 256 (stars), and for three values of the grafting density: σ = 0.1 (black), 0.2 (red), and 0.4 (blue).

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/content/aip/journal/jcp/137/6/10.1063/1.4742934
2012-08-14
2014-04-17
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Surface instabilities of minority chains in dense polymer brushes: A comparison of density functional theory and quasi-off-lattice self-consistent field theory
http://aip.metastore.ingenta.com/content/aip/journal/jcp/137/6/10.1063/1.4742934
10.1063/1.4742934
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