Simulations of a lattice model of two-headed linear amphiphiles: influence of amphiphile asymmetry
Using a 2D lattice model, we conduct Monte Carlo simulations of micellar aggregation of linear-chain amphiphiles having two solvophilic head groups. In the context of this simple model, we quantify how the amphiphile architecture influences the critical micelle concentration (CMC), with a particular...
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| creator | Jackson, Douglas R Mohareb, Amir MacNeil, Jennifer M Shajahan G Razul D Gerrard Marangoni Poole, Peter H |
| description | Using a 2D lattice model, we conduct Monte Carlo simulations of micellar aggregation of linear-chain amphiphiles having two solvophilic head groups. In the context of this simple model, we quantify how the amphiphile architecture influences the critical micelle concentration (CMC), with a particular focus on the role of the asymmetry of the amphiphile structure. Accordingly, we study all possible arrangements of the head groups along amphiphile chains of fixed length \(N=12\) and 16 molecular units. This set of idealized amphiphile architectures approximates many cases of symmetric and asymmetric gemini surfactants, double-headed surfactants and boloform surfactants. Consistent with earlier results, we find that the number of spacer units \(s\) separating the heads has a significant influence on the CMC, with the CMC increasing with \(s\) for \(s |
| doi_str_mv | 10.48550/arxiv.1010.1421 |
| format | Article |
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In the context of this simple model, we quantify how the amphiphile architecture influences the critical micelle concentration (CMC), with a particular focus on the role of the asymmetry of the amphiphile structure. Accordingly, we study all possible arrangements of the head groups along amphiphile chains of fixed length \(N=12\) and 16 molecular units. This set of idealized amphiphile architectures approximates many cases of symmetric and asymmetric gemini surfactants, double-headed surfactants and boloform surfactants. Consistent with earlier results, we find that the number of spacer units \(s\) separating the heads has a significant influence on the CMC, with the CMC increasing with \(s\) for \(s<N/2\). 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In comparison, the influence of the asymmetry of the chain architecture on the CMC is much weaker, as is also found experimentally.</description><subject>Architecture</subject><subject>Asymmetry</subject><subject>Chains</subject><subject>Computer simulation</subject><subject>Influence</subject><subject>Micelles</subject><subject>Physics - Soft Condensed Matter</subject><subject>Surfactants</subject><subject>Two dimensional models</subject><issn>2331-8422</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2010</creationdate><recordtype>article</recordtype><sourceid>ABUWG</sourceid><sourceid>AFKRA</sourceid><sourceid>AZQEC</sourceid><sourceid>BENPR</sourceid><sourceid>CCPQU</sourceid><sourceid>DWQXO</sourceid><sourceid>GOX</sourceid><recordid>eNo9UE1Lw0AQXQTBUnv3JAueU_cz2XiTolYoeLD3MNmd0C35qLuJmn9vYkUYGObNe4-ZR8gNZ2tltGb3EL7955qzCeBK8AuyEFLyxCghrsgqxiNjTKSZ0FouSPnum6GG3ndtpF1FgU5D7y3SpnNYz1D_1SUHBIeO1r5FCBSa08FPVWN8oL6t6gHbSTHL_zcU4tg02IfxmlxWUEdc_fUl2T8_7TfbZPf28rp53CWgeZ5UkOscodTOgjJgnZLcMETmrNKZ5SnnYEqwUjOpreGZsVpaVeaVKNPSWbkkt2fb3_-LU_ANhLGYcyjmHCbC3ZlwCt3HgLEvjt0Q2umkQjAjlMhTncsfESViBA</recordid><startdate>20101007</startdate><enddate>20101007</enddate><creator>Jackson, Douglas R</creator><creator>Mohareb, Amir</creator><creator>MacNeil, Jennifer</creator><creator>M Shajahan G Razul</creator><creator>D Gerrard Marangoni</creator><creator>Poole, Peter H</creator><general>Cornell University Library, arXiv.org</general><scope>8FE</scope><scope>8FG</scope><scope>ABJCF</scope><scope>ABUWG</scope><scope>AFKRA</scope><scope>AZQEC</scope><scope>BENPR</scope><scope>BGLVJ</scope><scope>CCPQU</scope><scope>DWQXO</scope><scope>HCIFZ</scope><scope>L6V</scope><scope>M7S</scope><scope>PIMPY</scope><scope>PQEST</scope><scope>PQQKQ</scope><scope>PQUKI</scope><scope>PRINS</scope><scope>PTHSS</scope><scope>GOX</scope></search><sort><creationdate>20101007</creationdate><title>Simulations of a lattice model of two-headed linear amphiphiles: influence of amphiphile asymmetry</title><author>Jackson, Douglas R ; Mohareb, Amir ; MacNeil, Jennifer ; M Shajahan G Razul ; D Gerrard Marangoni ; Poole, Peter H</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-a519-fa959eab5dca48acd43180ee0dc457c1611a8bac35035c8178c53c4b9f2b6bdc3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2010</creationdate><topic>Architecture</topic><topic>Asymmetry</topic><topic>Chains</topic><topic>Computer simulation</topic><topic>Influence</topic><topic>Micelles</topic><topic>Physics - Soft Condensed Matter</topic><topic>Surfactants</topic><topic>Two dimensional models</topic><toplevel>online_resources</toplevel><creatorcontrib>Jackson, Douglas R</creatorcontrib><creatorcontrib>Mohareb, Amir</creatorcontrib><creatorcontrib>MacNeil, Jennifer</creatorcontrib><creatorcontrib>M Shajahan G Razul</creatorcontrib><creatorcontrib>D Gerrard Marangoni</creatorcontrib><creatorcontrib>Poole, Peter H</creatorcontrib><collection>ProQuest SciTech Collection</collection><collection>ProQuest Technology Collection</collection><collection>Materials Science & Engineering Collection</collection><collection>ProQuest Central (Alumni Edition)</collection><collection>ProQuest Central UK/Ireland</collection><collection>ProQuest Central Essentials</collection><collection>ProQuest Central</collection><collection>Technology Collection</collection><collection>ProQuest One Community College</collection><collection>ProQuest Central Korea</collection><collection>SciTech Premium Collection</collection><collection>ProQuest Engineering Collection</collection><collection>Engineering Database</collection><collection>Access via ProQuest (Open Access)</collection><collection>ProQuest One Academic Eastern Edition (DO NOT USE)</collection><collection>ProQuest One Academic</collection><collection>ProQuest One Academic UKI Edition</collection><collection>ProQuest Central China</collection><collection>Engineering Collection</collection><collection>arXiv.org</collection><jtitle>arXiv.org</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Jackson, Douglas R</au><au>Mohareb, Amir</au><au>MacNeil, Jennifer</au><au>M Shajahan G Razul</au><au>D Gerrard Marangoni</au><au>Poole, Peter H</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Simulations of a lattice model of two-headed linear amphiphiles: influence of amphiphile asymmetry</atitle><jtitle>arXiv.org</jtitle><date>2010-10-07</date><risdate>2010</risdate><eissn>2331-8422</eissn><abstract>Using a 2D lattice model, we conduct Monte Carlo simulations of micellar aggregation of linear-chain amphiphiles having two solvophilic head groups. 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| source | Freely Accessible Journals; arXiv.org |
| subjects | Architecture Asymmetry Chains Computer simulation Influence Micelles Physics - Soft Condensed Matter Surfactants Two dimensional models |
| title | Simulations of a lattice model of two-headed linear amphiphiles: influence of amphiphile asymmetry |
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