Artículo
Clavero, E.; Rodriguez, J.; Laria, D. "Computer simulations of catanionic surfactants adsorbed at air/water interfaces. II. Full coverage" (2007) Journal of Chemical Physics. 127(12)
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Abstract:
We extend our previous molecular dynamics experiments [Rodriguez, J. Phys. Chem. B 109, 24427 (2005)] to the analysis of the adsorption of catanionic surfactants at water/air interfaces, at a surfactant coverage close to that of the saturated monolayer: 30.3 Å2 per headgroup. The mixture of surfactants investigated corresponds to equal amounts of dodecytrimethylammonium (DTA) and dodecylsulfate (DS). The structure of the interface is analyzed in terms of the local densities and orientational correlations of all relevant interfacial species. In accordance with experimental evidence, the DTA headgroups penetrate deeper into the aqueous substrate than the DS ones, although the average positions of all headgroups, with respect to the interface, lie in positions somewhat more external than the ones observed at lower coverages. Average tail tilts are close to 45°. The characteristics of the headgroup-water substrate correlations are also analyzed using a tessellation procedure of the interface. The density and polarization responses of the interfacial domains closest to the DS headgroups are enhanced, compared to those adjacent to the DTA detergents. Dynamical aspects related to the diffusion and to the orientational correlations of different water layers in close contact with the surfactant are also investigated. © 2007 American Institute of Physics.
Registro:
| Documento: | Artículo |
| Título: | Computer simulations of catanionic surfactants adsorbed at air/water interfaces. II. Full coverage |
| Autor: | Clavero, E.; Rodriguez, J.; Laria, D. |
| Filiación: | Departamento de Química Inorgánica, Analítica y Química-Física, Facultad de Ciencias Exactas y Naturales, Pabellón II, 1428 Buenos Aires, Argentina INQUIMAE, Facultad de Ciencias Exactas y Naturales, Pabellón II, 1428 Buenos Aires, Argentina Unidad Actividad Física, Comisión Nacional de Energía Atómica, Avenida Libertador 8250, 1429 Buenos Aires, Argentina |
| Palabras clave: | Adsorption; Density (specific gravity); Molecular dynamics; Phase interfaces; Substrates; Dodecytrimethylammonium; Interfacial domains; Tessellation; Water/air interfaces; Cationic surfactants |
| Año: | 2007 |
| Volumen: | 127 |
| Número: | 12 |
| DOI: | http://dx.doi.org/10.1063/1.2779876 |
| Título revista: | Journal of Chemical Physics |
| Título revista abreviado: | J Chem Phys |
| ISSN: | 00219606 |
| CODEN: | JCPSA |
| PDF: | https://bibliotecadigital.exactas.uba.ar/download/paper/paper_00219606_v127_n12_p_Clavero.pdf |
| Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00219606_v127_n12_p_Clavero |
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Citas:
---------- APA ----------
Clavero, E., Rodriguez, J. & Laria, D. (2007) . Computer simulations of catanionic surfactants adsorbed at air/water interfaces. II. Full coverage. Journal of Chemical Physics, 127(12).http://dx.doi.org/10.1063/1.2779876
---------- CHICAGO ----------
Clavero, E., Rodriguez, J., Laria, D. "Computer simulations of catanionic surfactants adsorbed at air/water interfaces. II. Full coverage" . Journal of Chemical Physics 127, no. 12 (2007).http://dx.doi.org/10.1063/1.2779876
---------- MLA ----------
Clavero, E., Rodriguez, J., Laria, D. "Computer simulations of catanionic surfactants adsorbed at air/water interfaces. II. Full coverage" . Journal of Chemical Physics, vol. 127, no. 12, 2007.http://dx.doi.org/10.1063/1.2779876
---------- VANCOUVER ----------
Clavero, E., Rodriguez, J., Laria, D. Computer simulations of catanionic surfactants adsorbed at air/water interfaces. II. Full coverage. J Chem Phys. 2007;127(12).http://dx.doi.org/10.1063/1.2779876
