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01000naa a22002652 4500 |
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NLM159451396 |
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DE-627 |
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231223s2005 xx ||||| 00| ||eng c |
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|a pubmed24n0532.xml
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|a (NLM)16342988
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|a DE-627
|b ger
|c DE-627
|e rakwb
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| 041 |
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|a eng
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| 100 |
1 |
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|a Shen, Yangyang
|e verfasserin
|4 aut
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| 245 |
1 |
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|a Molecular dynamics study of the influence of surfactant structure on surfactant-facilitated spreading of droplets on solid surfaces
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| 264 |
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|c 2005
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| 336 |
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|a Text
|b txt
|2 rdacontent
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| 337 |
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|a ohne Hilfsmittel zu benutzen
|b n
|2 rdamedia
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| 338 |
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|a Band
|b nc
|2 rdacarrier
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| 500 |
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|a Date Completed 19.07.2007
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|a Date Revised 13.12.2005
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|a published: Print
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|a Citation Status MEDLINE
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|a The spreading of a partially wetting aqueous drop in air on a hydrophobic surface can be facilitated by the adsorption of surfactants from the drop phase onto the air/aqueous and aqueous/hydrophobic solid interfaces of the drop. At the contact line at which these interfaces meet, conventional surfactants with a linear alkyl hydrophobic chain attached to a polar group adsorb onto the surfaces, forming monolayers which remain distinct as they merge at the contact juncture. The adsorption causes a decrease in the interfacial tensions and reduction in the contact angle but the angle remains above zero so the drop is still nonwetting. Trisiloxane surfactants with a T-shaped geometry in which the hydrophobic group is composed of a trisiloxane oligomer with a polar group attached at the center of the chain can give rise to a zero contact angle at the contact line and complete wetting (superspreading). Experimental evidence suggests the adsorption of the T-shaped molecule, in addition to significantly decreasing the tensions of the interfaces (relative to the conventional surfactants), promotes the formation of a precursor film consisting of a surfactant bilayer at the contact line which facilitates the spreading. The aim of this study is to use molecular dynamics to examine if the T-shaped structure can promote spreading by the formation of a bilayer and to contrast this case with that of the linear chain surfactant where complex assembly does not occur. The simulation models the solvent as a monatomic liquid, the substrate as a particle lattice, and the surfactants as united atom structures, with all interactions given by Lennard-Jones potentials. We start with a base case in which the solvent partially wets a substrate comprised of a lattice of particles. We demonstrate that adsorbed T-shaped surfactant monolayers can, when the interaction between the solvent and the hydrophile particles is strong enough, assemble into a bilayer, allowing the drop to extend to a thin planar film. In the case of the flexible linear chain surfactant, there is no interaction between the monolayers on the two interfaces in the case of a strong hydrophile-solvent interaction and less coordination for a weaker interaction. In either case, the monolayers remain distinct, as the surfactant only marginally improves wetting
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| 650 |
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|a Journal Article
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| 650 |
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|a Research Support, Non-U.S. Gov't
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| 650 |
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4 |
|a Research Support, U.S. Gov't, Non-P.H.S.
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| 650 |
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7 |
|a Surface-Active Agents
|2 NLM
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| 700 |
1 |
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|a Couzis, Alexander
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Koplik, Joel
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Maldarelli, Charles
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Tomassone, M Silvina
|e verfasserin
|4 aut
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| 773 |
0 |
8 |
|i Enthalten in
|t Langmuir : the ACS journal of surfaces and colloids
|d 1992
|g 21(2005), 26 vom: 20. Dez., Seite 12160-70
|w (DE-627)NLM098181009
|x 1520-5827
|7 nnns
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| 773 |
1 |
8 |
|g volume:21
|g year:2005
|g number:26
|g day:20
|g month:12
|g pages:12160-70
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