Mixing and segregation in binary polar-molecule clusters

Autores
<div class="autor_fcen" id="5863">Molinero, V.</div>; <div class="autor_fcen" id="4817">Laria, D.</div>; Kapral, R.
Año de publicación
1998
Idioma
inglés
Tipo de recurso
artículo
Estado
Versión publicada
Descripción
Structural and dynamical properties of liquid-state, binary, water-acetonitrile nanoclusters are studied. When acetonitrile is the solute species, it exhibits a propensity to reside on the cluster surface, although one may identify regions interior to the cluster that are favorable for solvation. The dynamics of the interchange of acetonitrile between surface and interior solvation regions and structural aspects of surface solvation states are studied. When water is the solute it tends to be solvated in the interior of the cluster and form aggregates. The nature and dynamics of contact and solvent separated water pairs in these clusters is investigated, and the recombination dynamics of larger water aggregates in concentrated water-acetonitrile clusters is examined. © 1998 American Institute of Physics.
Fil:Molinero, V. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina.
Fil:Laria, D. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina.
Fuente
J Chem Phys 1998;109(16):6844-6853
Nivel de accesibilidad
Acceso abierto
Licencia
http://creativecommons.org/licenses/by/2.5/ar
Repositorio
Biblioteca Digital (UBA-FCEN)
Institución
Universidad Nacional de Buenos Aires. Facultad de Ciencias Exactas y Naturales
OAI Identificador
snrd:HASHe2a6bade3bf59ebe489200