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...
Gespeichert in:
Veröffentlicht in: | Soft matter 2012-01, Vol.8 (38), p.9877-9885 |
---|---|
Hauptverfasser: | , , |
Format: | Artikel |
Sprache: | eng |
Schlagworte: | |
Online-Zugang: | Volltext |
Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
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 |