Abstract:
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.
Registro:
Documento: |
Artículo
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Título: | Density profiles of Ar adsorbed in slits of C O2: Spontaneous symmetry breaking revisited |
Autor: | Szybisz, L.; Sartarelli, S.A. |
Filiación: | Laboratorio TANDAR, Departamento de Física, Comisión Nacional de Energía Atómica, Av. del Libertador 8250, RA-1429 Buenos Aires, Argentina Departamento de Física, Facultad de Ciencias Exactas y Naturales, Ciudad Universitaria, RA-1428 Buenos Aires, Argentina Consejo Nacional de Investigaciones Científicas y T́cnicas, Av. Rivadavia 1917, RA-1033 Buenos Aires, Argentina Instituto de Desarrollo Humano, Universidad Nacional de General Sarmiento, Gutierrez 1150, RA-1663 San Miguel, Argentina
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Palabras clave: | 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 |
Año: | 2008
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Volumen: | 128
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Número: | 12
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DOI: |
http://dx.doi.org/10.1063/1.2895747 |
Título revista: | Journal of Chemical Physics
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Título revista abreviado: | J Chem Phys
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ISSN: | 00219606
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CODEN: | JCPSA
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CAS: | argon, 7440-37-1; carbon dioxide, 124-38-9, 58561-67-4; Argon, 7440-37-1; Carbon Dioxide, 124-38-9
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PDF: | https://bibliotecadigital.exactas.uba.ar/download/paper/paper_00219606_v128_n12_p_Szybisz.pdf |
Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00219606_v128_n12_p_Szybisz |
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Citas:
---------- APA ----------
Szybisz, L. & Sartarelli, S.A.
(2008)
. Density profiles of Ar adsorbed in slits of C O2: Spontaneous symmetry breaking revisited. Journal of Chemical Physics, 128(12).
http://dx.doi.org/10.1063/1.2895747---------- CHICAGO ----------
Szybisz, L., Sartarelli, S.A.
"Density profiles of Ar adsorbed in slits of C O2: Spontaneous symmetry breaking revisited"
. Journal of Chemical Physics 128, no. 12
(2008).
http://dx.doi.org/10.1063/1.2895747---------- MLA ----------
Szybisz, L., Sartarelli, S.A.
"Density profiles of Ar adsorbed in slits of C O2: Spontaneous symmetry breaking revisited"
. Journal of Chemical Physics, vol. 128, no. 12, 2008.
http://dx.doi.org/10.1063/1.2895747---------- VANCOUVER ----------
Szybisz, L., Sartarelli, S.A. Density profiles of Ar adsorbed in slits of C O2: Spontaneous symmetry breaking revisited. J Chem Phys. 2008;128(12).
http://dx.doi.org/10.1063/1.2895747