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dc.contributor.author
Elola, Maria Dolores
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dc.contributor.author
Rodriguez, Javier
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dc.date.available
2017-09-28T20:36:19Z
dc.date.issued
2013-10
dc.identifier.citation
Elola, Maria Dolores; Rodriguez, Javier; Structure and dynamics of nonionic surfactants adsorbed at vacuum/ionic liquid interfaces; American Chemical Society; Langmuir; 29; 44; 10-2013; 13379-13387
dc.identifier.issn
0743-7463
dc.identifier.uri
http://hdl.handle.net/11336/25383
dc.description.abstract
Structural and dynamical properties related to the adsorption of nonionic surfactants at vacuum/ionic liquid interfaces were studied using molecular dynamics simulations. Specifically, the surface activity of pentaethylene glycol monododecyl ether (C12E5) was investigated at the free interface of an imidazolium-based room temperature ionic liquid (RTIL), at different surface densities. At low surface coverages, the incorporation of C12E5 does not produce meaningful changes in the vacuum/RTIL interface: the C12E5 hydrophobic tails remain entangled with those of the RTIL cation groups in the outer shell, whereas the C12E5 hydrophilic heads reside at an inner layer. At high surface coverages, the structure in the substrate—in terms of the features exhibited by the local density profiles—practically vanishes; the interface becomes wider and the surfactant molecules shift toward more external positions. Information about the local structure of the interface at high surface densities can be recovered by performing a tessellation procedure. For the sake of comparison, the surface behavior of two commonly used ionic surfactants, sodium dodecyl sulfate and dodecyl trimethyl ammonium chloride, were also studied. The modifications in the width and structure of the bare vacuum/RTIL interface due to the presence of the ionic surfactants are markedly milder than those observed for the nonionic surfactant. Moreover, the RTIL seemed to behave as a better solvent for the chloride counterions than for sodium ones; which were found to remain bound to the surfactant head groups. An analysis of the dynamics at the surface was also performed. Our results indicate that the presence of increasing amounts of nonionic surfactants leads to a gradual reduction of the mobility of the RTIL species. When ionic surfactants are adsorbed, these retardations are even more severe for the surfactant head groups, where the corresponding diffusion coefficients show reductions of practically 1 order of magnitude.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
American Chemical Society
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dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc/2.5/ar/
dc.subject
Ionic Liquid
dc.subject
Surfactant
dc.subject
Interface
dc.subject
Molecular Dynamics
dc.subject.classification
Otras Ciencias Químicas
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dc.subject.classification
Ciencias Químicas
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dc.subject.classification
CIENCIAS NATURALES Y EXACTAS
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dc.title
Structure and dynamics of nonionic surfactants adsorbed at vacuum/ionic liquid interfaces
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2017-09-28T18:15:44Z
dc.journal.volume
29
dc.journal.number
44
dc.journal.pagination
13379-13387
dc.journal.pais
Estados Unidos
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dc.journal.ciudad
Washington D. C.
dc.description.fil
Fil: Elola, Maria Dolores. Comisión Nacional de Energía Atómica. Gerencia del Área de Investigaciones y Aplicaciones no Nucleares. Gerencia de Física (Centro Atómico Constituyentes); Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
dc.description.fil
Fil: Rodriguez, Javier. Universidad Nacional de San Martín. Escuela de Ciencia y Tecnología; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Investigaciones y Aplicaciones no Nucleares. Gerencia de Física (Centro Atómico Constituyentes); Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
dc.journal.title
Langmuir
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dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/http://pubs.acs.org/doi/abs/10.1021/la402683j
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1021/la402683j
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