Ionic liquids at the air/water interface

Autores
Clavero, Esteban Dario; Rodriguez, Javier
Año de publicación
2011
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
We present molecular dynamics experiments of Langmuir monolayers of iodide and chloride salts of 1-octyl-3-methylimidazolium adsorbed at water/air interfaces, covering a concentration range that spans from a dilute regime up to the experimental surface saturation for both systems. For the chloride case we observed a propensity to form monolayers with nearly equal surface concentration of both cations and anions; whereas for the iodide system, the more marked propensity to surface solvation of the anionic species leads to the appearance of quasi-double-layered structures. At the surface, the imidazolium rings remain in contact with the aqueous substrate, with a wide variety of orientations with respect to the surface normal direction. Theglobal tilt of the hydrophobic tail of the cations was found to be θtl~40°and 50°, for the chloride and iodide salts, respectively. Polarization fluctuations of the interface are analyzed in terms of those describing charge distributions of the adsorbed species and the electrical response of the solvent as well. The characteristics of the local densities for the ionic species at the interface provide arguments for the microscopic interpretation of the differences observed in scattering experiments on the dependence of the surface tension with the surfactant concentration.
Fil: Clavero, Esteban Dario. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de Quilmes; Argentina
Fil: Rodriguez, Javier. Universidad Nacional de San Martín. Escuela de Ciencia y Tecnología; Argentina. Comisión Nacional de Energía Atómica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Materia
IONIC LIQUIDS
MOLECULAR DYNAMICS
SURFACE ACTIVITY
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/192884
Acceder
id CONICETDig_e4c624703ac6b2f3edc7792b04f81e77
oai_identifier_str oai:ri.conicet.gov.ar:11336/192884
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Ionic liquids at the air/water interfaceClavero, Esteban DarioRodriguez, JavierIONIC LIQUIDSMOLECULAR DYNAMICSSURFACE ACTIVITYhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1We present molecular dynamics experiments of Langmuir monolayers of iodide and chloride salts of 1-octyl-3-methylimidazolium adsorbed at water/air interfaces, covering a concentration range that spans from a dilute regime up to the experimental surface saturation for both systems. For the chloride case we observed a propensity to form monolayers with nearly equal surface concentration of both cations and anions; whereas for the iodide system, the more marked propensity to surface solvation of the anionic species leads to the appearance of quasi-double-layered structures. At the surface, the imidazolium rings remain in contact with the aqueous substrate, with a wide variety of orientations with respect to the surface normal direction. Theglobal tilt of the hydrophobic tail of the cations was found to be θtl~40°and 50°, for the chloride and iodide salts, respectively. Polarization fluctuations of the interface are analyzed in terms of those describing charge distributions of the adsorbed species and the electrical response of the solvent as well. The characteristics of the local densities for the ionic species at the interface provide arguments for the microscopic interpretation of the differences observed in scattering experiments on the dependence of the surface tension with the surfactant concentration.Fil: Clavero, Esteban Dario. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de Quilmes; ArgentinaFil: Rodriguez, Javier. Universidad Nacional de San Martín. Escuela de Ciencia y Tecnología; Argentina. Comisión Nacional de Energía Atómica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaElsevier Science2011-09info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/192884Clavero, Esteban Dario; Rodriguez, Javier; Ionic liquids at the air/water interface; Elsevier Science; Journal of Molecular Liquids; 163; 2; 9-2011; 64-690167-7322CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0167732211002479info:eu-repo/semantics/altIdentifier/doi/10.1016/j.molliq.2011.07.014info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T10:01:48Zoai:ri.conicet.gov.ar:11336/192884instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-03 10:01:48.344CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Ionic liquids at the air/water interface
title Ionic liquids at the air/water interface
spellingShingle Ionic liquids at the air/water interface
Clavero, Esteban Dario
IONIC LIQUIDS
MOLECULAR DYNAMICS
SURFACE ACTIVITY
title_short Ionic liquids at the air/water interface
title_full Ionic liquids at the air/water interface
title_fullStr Ionic liquids at the air/water interface
title_full_unstemmed Ionic liquids at the air/water interface
title_sort Ionic liquids at the air/water interface
dc.creator.none.fl_str_mv Clavero, Esteban Dario
Rodriguez, Javier
author Clavero, Esteban Dario
author_facet Clavero, Esteban Dario
Rodriguez, Javier
author_role author
author2 Rodriguez, Javier
author2_role author
dc.subject.none.fl_str_mv IONIC LIQUIDS
MOLECULAR DYNAMICS
SURFACE ACTIVITY
topic IONIC LIQUIDS
MOLECULAR DYNAMICS
SURFACE ACTIVITY
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv We present molecular dynamics experiments of Langmuir monolayers of iodide and chloride salts of 1-octyl-3-methylimidazolium adsorbed at water/air interfaces, covering a concentration range that spans from a dilute regime up to the experimental surface saturation for both systems. For the chloride case we observed a propensity to form monolayers with nearly equal surface concentration of both cations and anions; whereas for the iodide system, the more marked propensity to surface solvation of the anionic species leads to the appearance of quasi-double-layered structures. At the surface, the imidazolium rings remain in contact with the aqueous substrate, with a wide variety of orientations with respect to the surface normal direction. Theglobal tilt of the hydrophobic tail of the cations was found to be θtl~40°and 50°, for the chloride and iodide salts, respectively. Polarization fluctuations of the interface are analyzed in terms of those describing charge distributions of the adsorbed species and the electrical response of the solvent as well. The characteristics of the local densities for the ionic species at the interface provide arguments for the microscopic interpretation of the differences observed in scattering experiments on the dependence of the surface tension with the surfactant concentration.
Fil: Clavero, Esteban Dario. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de Quilmes; Argentina
Fil: Rodriguez, Javier. Universidad Nacional de San Martín. Escuela de Ciencia y Tecnología; Argentina. Comisión Nacional de Energía Atómica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
description We present molecular dynamics experiments of Langmuir monolayers of iodide and chloride salts of 1-octyl-3-methylimidazolium adsorbed at water/air interfaces, covering a concentration range that spans from a dilute regime up to the experimental surface saturation for both systems. For the chloride case we observed a propensity to form monolayers with nearly equal surface concentration of both cations and anions; whereas for the iodide system, the more marked propensity to surface solvation of the anionic species leads to the appearance of quasi-double-layered structures. At the surface, the imidazolium rings remain in contact with the aqueous substrate, with a wide variety of orientations with respect to the surface normal direction. Theglobal tilt of the hydrophobic tail of the cations was found to be θtl~40°and 50°, for the chloride and iodide salts, respectively. Polarization fluctuations of the interface are analyzed in terms of those describing charge distributions of the adsorbed species and the electrical response of the solvent as well. The characteristics of the local densities for the ionic species at the interface provide arguments for the microscopic interpretation of the differences observed in scattering experiments on the dependence of the surface tension with the surfactant concentration.
publishDate 2011
dc.date.none.fl_str_mv 2011-09
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/192884
Clavero, Esteban Dario; Rodriguez, Javier; Ionic liquids at the air/water interface; Elsevier Science; Journal of Molecular Liquids; 163; 2; 9-2011; 64-69
0167-7322
CONICET Digital
CONICET
url http://hdl.handle.net/11336/192884
identifier_str_mv Clavero, Esteban Dario; Rodriguez, Javier; Ionic liquids at the air/water interface; Elsevier Science; Journal of Molecular Liquids; 163; 2; 9-2011; 64-69
0167-7322
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0167732211002479
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.molliq.2011.07.014
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Elsevier Science
publisher.none.fl_str_mv Elsevier Science
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
_version_ 1842269718989242368
score 13.13397

Publicaciones similares