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 |
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creator | Thompson, Russell B Jebb, T Wen, Y |
description | 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. |
doi_str_mv | 10.1039/c2sm26352a |
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A minimalist self-consistent field theory for small amphiphilic molecules is presented.</description><subject>Block copolymers</subject><subject>Computation</subject><subject>Convergence</subject><subject>Copolymers</subject><subject>Field theory</subject><subject>Flexibility</subject><subject>Mathematical analysis</subject><subject>Mathematical models</subject><issn>1744-683X</issn><issn>1744-6848</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2012</creationdate><recordtype>article</recordtype><recordid>eNp9kM1LAzEQxYMoWKsX70K8ibC6-WiSHrX4hQUvCt6WNDux0exmzWwP_e9dqVS8CAMzzPsxvHmEHLPygpVieuk4NlyJCbc7ZMS0lIUy0uxuZ_G6Tw4Q38tSGMnUiDxeQ-uWjc0foX2jliJEX7jUYsAe2p76ALGm_RJSXlOfMsXGxkht0y3DUDE42qQIbhUBD8metxHh6KePycvtzfPsvpg_3T3MruaFE4z3hVDWc62dqMHUWntfy6lh4IDpCRt22ki1MLVXEiyzBrjmTIhyMTgupeZajMnZ5m6X0-cKsK-agA5itC2kFVaMCSXZVBoxoOcb1OWEmMFXXQ7Dt-uKldV3YtVvYgN8soEzui33Rz_9T6-62osv8Yp0YA</recordid><startdate>20120101</startdate><enddate>20120101</enddate><creator>Thompson, Russell B</creator><creator>Jebb, T</creator><creator>Wen, Y</creator><scope>AAYXX</scope><scope>CITATION</scope><scope>7U5</scope><scope>8FD</scope><scope>L7M</scope></search><sort><creationdate>20120101</creationdate><title>Benchmarking a self-consistent field theory for small amphiphilic molecules</title><author>Thompson, Russell B ; Jebb, T ; Wen, Y</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c312t-36af277c3de8d77ffd4981ece1751de87846b8df64ea1a8e2721330b384047273</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2012</creationdate><topic>Block copolymers</topic><topic>Computation</topic><topic>Convergence</topic><topic>Copolymers</topic><topic>Field theory</topic><topic>Flexibility</topic><topic>Mathematical analysis</topic><topic>Mathematical models</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Thompson, Russell B</creatorcontrib><creatorcontrib>Jebb, T</creatorcontrib><creatorcontrib>Wen, Y</creatorcontrib><collection>CrossRef</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>Technology Research Database</collection><collection>Advanced Technologies Database with Aerospace</collection><jtitle>Soft matter</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Thompson, Russell B</au><au>Jebb, T</au><au>Wen, Y</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Benchmarking a self-consistent field theory for small amphiphilic molecules</atitle><jtitle>Soft matter</jtitle><date>2012-01-01</date><risdate>2012</risdate><volume>8</volume><issue>38</issue><spage>9877</spage><epage>9885</epage><pages>9877-9885</pages><issn>1744-683X</issn><eissn>1744-6848</eissn><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.
A minimalist self-consistent field theory for small amphiphilic molecules is presented.</abstract><doi>10.1039/c2sm26352a</doi><tpages>9</tpages></addata></record> |
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source | Royal Society Of Chemistry Journals 2008-; Alma/SFX Local Collection |
subjects | Block copolymers Computation Convergence Copolymers Field theory Flexibility Mathematical analysis Mathematical models |
title | Benchmarking a self-consistent field theory for small amphiphilic molecules |
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