Density profiles of Ar adsorbed in slits of C O2: Spontaneous symmetry breaking revisited

• Autores: Szybisz, L.; Sartarelli, S.A.
• Año de publicación: 2008
• Idioma: inglés
• Tipo de recurso: artículo
• Fuente: J Chem Phys 2008;128(12)
• Materia: Absorption; Argon; Density functional theory; Phase interfaces; Density profiles; Fluid argon; Symmetry breaking; Carbon dioxide; argon; carbon dioxide; adsorption; chemical model; chemistry; computer simulation; note; surface property; Adsorption; Argon; Carbon Dioxide; Computer Simulation; Models, Chemical; Surface Properties
• Institución: Universidad Nacional de Buenos Aires. Facultad de Ciencias Exactas y Naturales

A recently reported symmetry breaking of density profiles of fluid argon confined by two parallel solid walls of carbon dioxide is studied. The calculations are performed in the framework of a nonlocal density functional theory. It is shown that the existence of such asymmetrical solutions is restricted to a special choice for the adsorption potential, where the attraction of the solid-fluid interaction is reduced by the introduction of a hard-wall repulsion. The behavior as a function of the slit's width is also discussed. All the results are placed in the context of the current knowledge on this matter. © 2008 American Institute of Physics.
Fil:Szybisz, L. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina.
Fil:Sartarelli, S.A. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina.