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231224s2016 xx |||||o 00| ||eng c |
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|a 10.1021/acs.langmuir.5b03689
|2 doi
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|a eng
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|a Sambasivam, Abhinanden
|e verfasserin
|4 aut
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|a Self-Assembly of Nanoparticle-Surfactant Complexes with Rodlike Micelles
|b A Molecular Dynamics Study
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|c 2016
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|a Text
|b txt
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|a ƒaComputermedien
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|a ƒa Online-Ressource
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|a Date Completed 08.06.2016
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|a Date Revised 09.02.2016
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|a published: Print-Electronic
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|a Citation Status PubMed-not-MEDLINE
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|a The self-assembly of nanoparticles (NPs) with cationic micelles of cetyltrimethylammonium chloride (CTAC) is known to produce stable nanogels with rich rheological and optical properties. Coarse-grained molecular dynamics (MD) simulations are performed to explore the molecular mechanisms underlying this self-assembly process. In an aqueous solution of CTAC surfactants, a negatively charged NP with a zeta potential of less than -45 mV is observed to form a stable vesicular structure in which the particle surface is almost entirely covered with a double layer of surfactants. In comparison, surfactants form a monolayer, or a corona, around an uncharged hydrophobic NP with the tailgroups physically adsorbed onto the particle. In the presence of sodium salicylate salt, such NP-surfactant complexes (NPSCs) interact with rodlike CTAC micelles, resulting in the formation of stable junctions through the opening up of the micelle end-cap followed by surfactant exchange, which is diffusion-limited. The diffusive regime spans several hundred nanoseconds, thereby necessitating MD simulations over microsecond time scales. The energetics of NPSC-micelle complexation is analyzed from the variation in the total pair-potential energy of the structures
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|a Journal Article
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|a Research Support, U.S. Gov't, Non-P.H.S.
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|a Sangwai, Ashish V
|e verfasserin
|4 aut
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|a Sureshkumar, Radhakrishna
|e verfasserin
|4 aut
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| 773 |
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|i Enthalten in
|t Langmuir : the ACS journal of surfaces and colloids
|d 1992
|g 32(2016), 5 vom: 09. Feb., Seite 1214-9
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|x 1520-5827
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|g volume:32
|g year:2016
|g number:5
|g day:09
|g month:02
|g pages:1214-9
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|u http://dx.doi.org/10.1021/acs.langmuir.5b03689
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