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Benchmarking a self-consistent field theory for small amphiphilic molecules

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Thompson_Russel_Benchmarking_a_Self-consistent_field_theory_for_small_amphiphilic_molecules.pdf (1.76 MB)

Date

2012-08-14

Authors

Thompson, Russell B.
Jebb, T.
Wen, Y.

Journal Title

Journal ISSN

Volume Title

Publisher

RSC publishing

Abstract

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.

Description

DOI: 10.1039/C2SM26352A (Paper) Soft Matter, 2012, 8, 9877-9885 This journal is © The Royal Society of Chemistry 2012

Keywords

self-consistent field theory, amphiphilic molecules, block copolymers

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Citation

URI

http://pubs.rsc.org/en/Content/ArticleLanding/2012/SM/c2sm26352a#!divAbstract
 http://hdl.handle.net/10012/10308

Collections

Waterloo Research
Physics and Astronomy