Artículo
Correlated dynamics of water and amphiphilic molecules in thin Newton black films
Fecha de publicación:
02/2010
Editorial:
American Institute of Physics
Revista:
Journal of Chemical Physics
ISSN:
0021-9606
Idioma:
Inglés
Tipo de recurso:
Artículo publicado
Clasificación temática:
Resumen
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.
Palabras clave:
Confined Water
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Articulos(SEDE CENTRAL)
Articulos de SEDE CENTRAL
Articulos de SEDE CENTRAL
Citación
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
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