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dc.contributor.author
Di Napoli, Solange Mariel
dc.contributor.author
Gamba, Z.
dc.date.available
2018-07-31T22:01:46Z
dc.date.issued
2010-02
dc.identifier.citation
Di Napoli, Solange Mariel; Gamba, Z.; Correlated dynamics of water and amphiphilic molecules in thin Newton black films; American Institute of Physics; Journal of Chemical Physics; 132; 7; 2-2010; 751011-751017
dc.identifier.issn
0021-9606
dc.identifier.uri
http://hdl.handle.net/11336/53712
dc.description.abstract
The dynamical properties of amphiphilics in Newton black films, as well as those of the water confined between the two charged hydrophilic surfaces, have been calculated via a series of molecular dynamic calculations in several films with different water content. A charged semi-flexible amphiphilic model and the TIP5P model of water are used in our simulations [J. Chem. Phys. 129, 164901 (2008)]. We calculate the diffusion coefficients, reorientational dynamics and the atomic density profile of water molecules as a function of the number of water molecules per amphiphilic (nw). We also analyse the reorientational motion of the amphiphilics and determine a strong correlation between the dynamics of water molecules and the translational and reorientational dynamics of the amphiphilics, as well as a correlation between the reorientational dynamics of the amphiphilics belonging to the upper and lower halves of the studied thin films.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
American Institute of Physics
dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
Confined Water
dc.subject.classification
Astronomía
dc.subject.classification
Ciencias Físicas
dc.subject.classification
CIENCIAS NATURALES Y EXACTAS
dc.title
Correlated dynamics of water and amphiphilic molecules in thin Newton black films
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2018-07-30T15:40:23Z
dc.journal.volume
132
dc.journal.number
7
dc.journal.pagination
751011-751017
dc.journal.pais
Estados Unidos
dc.journal.ciudad
Philadelphia
dc.description.fil
Fil: Di Napoli, Solange Mariel. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica; Argentina
dc.description.fil
Fil: Gamba, Z.. Comisión Nacional de Energía Atómica; Argentina
dc.journal.title
Journal of Chemical Physics
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1063/1.3302133
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://aip.scitation.org/doi/10.1063/1.3302133
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