Benchmarking a self-consistent field theory for small amphiphilic molecules

A minimalist self-consistent field theory for small amphiphilic molecules is presented. The equations for this model are less involved than those for block copolymers and are easily implemented computationally. A new convergence technique based on a variant of Anderson mixing is also presented which...

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Veröffentlicht in:Soft matter 2012-01, Vol.8 (38), p.9877-9885
Hauptverfasser: Thompson, Russell B, Jebb, T, Wen, Y
Format: Artikel
Sprache:eng
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Zusammenfassung:A minimalist self-consistent field theory for small amphiphilic molecules is presented. The equations for this model are less involved than those for block copolymers and are easily implemented computationally. A new convergence technique based on a variant of Anderson mixing is also presented which allows the equations to be solved more rapidly than block copolymer self-consistent field theory. The computational speed up and simplicity of equations result from a lack of configurational degrees of freedom in the amphiphilic molecular model. The omission of polymeric flexibility leads to qualitatively different predictions compared to known diblock copolymer behaviour. A minimalist self-consistent field theory for small amphiphilic molecules is presented.
ISSN:1744-683X
1744-6848
DOI:10.1039/c2sm26352a