Adsorption of Ar on planar surfaces studied with a density functional theory
The adsorption of Ar on planar structureless substrates of alkali metals, alkaline-earth metal Mg, CO2, and Au was analyzed by applying a density functional formalism which includes a recently proposed effective attractive pair potential conditioned to Ar. It is shown that this approach reproduces t...
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| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_15393755_v80_n5_p_Sartarelli |
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todo:paper_15393755_v80_n5_p_Sartarelli2023-10-03T16:22:31Z Adsorption of Ar on planar surfaces studied with a density functional theory Sartarelli, S.A. Szybisz, L. A-density Attractive surfaces Coexistence curve Critical points Experimental data First-order phase transitions Liquid-vapor interface Pair potential Planar surface Pre-wetting Triple points Wetting property Adsorption Adsorption isotherms Alkali metals Argon Atmospheric temperature Equations of state Phase interfaces Phase transitions Surface tension Technetium Density functional theory The adsorption of Ar on planar structureless substrates of alkali metals, alkaline-earth metal Mg, CO2, and Au was analyzed by applying a density functional formalism which includes a recently proposed effective attractive pair potential conditioned to Ar. It is shown that this approach reproduces the experimental surface tension of the liquid-vapor interface over the entire bulk coexistence curve for temperatures T spanning from the triple point Tt up to the critical point Tc. The wetting properties were studied over the entire range temperatures Tt Tc. It was found that Ar wets all the investigated surfaces. The adsorption isotherms for alkali metals exhibit first-order phase transitions. Prewetting lines were resolved even for the less attractive surfaces. In the cases of Mg, CO2, and Au a continuous growth for T Tt was obtained. A comparison with experimental data and other microscopic calculations is reported. © 2009 The American Physical Society. Fil:Sartarelli, S.A. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Szybisz, L. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_15393755_v80_n5_p_Sartarelli |
| institution |
Universidad de Buenos Aires |
| institution_str |
I-28 |
| repository_str |
R-134 |
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Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) |
| topic |
A-density Attractive surfaces Coexistence curve Critical points Experimental data First-order phase transitions Liquid-vapor interface Pair potential Planar surface Pre-wetting Triple points Wetting property Adsorption Adsorption isotherms Alkali metals Argon Atmospheric temperature Equations of state Phase interfaces Phase transitions Surface tension Technetium Density functional theory |
| spellingShingle |
A-density Attractive surfaces Coexistence curve Critical points Experimental data First-order phase transitions Liquid-vapor interface Pair potential Planar surface Pre-wetting Triple points Wetting property Adsorption Adsorption isotherms Alkali metals Argon Atmospheric temperature Equations of state Phase interfaces Phase transitions Surface tension Technetium Density functional theory Sartarelli, S.A. Szybisz, L. Adsorption of Ar on planar surfaces studied with a density functional theory |
| topic_facet |
A-density Attractive surfaces Coexistence curve Critical points Experimental data First-order phase transitions Liquid-vapor interface Pair potential Planar surface Pre-wetting Triple points Wetting property Adsorption Adsorption isotherms Alkali metals Argon Atmospheric temperature Equations of state Phase interfaces Phase transitions Surface tension Technetium Density functional theory |
| description |
The adsorption of Ar on planar structureless substrates of alkali metals, alkaline-earth metal Mg, CO2, and Au was analyzed by applying a density functional formalism which includes a recently proposed effective attractive pair potential conditioned to Ar. It is shown that this approach reproduces the experimental surface tension of the liquid-vapor interface over the entire bulk coexistence curve for temperatures T spanning from the triple point Tt up to the critical point Tc. The wetting properties were studied over the entire range temperatures Tt Tc. It was found that Ar wets all the investigated surfaces. The adsorption isotherms for alkali metals exhibit first-order phase transitions. Prewetting lines were resolved even for the less attractive surfaces. In the cases of Mg, CO2, and Au a continuous growth for T Tt was obtained. A comparison with experimental data and other microscopic calculations is reported. © 2009 The American Physical Society. |
| format |
JOUR |
| author |
Sartarelli, S.A. Szybisz, L. |
| author_facet |
Sartarelli, S.A. Szybisz, L. |
| author_sort |
Sartarelli, S.A. |
| title |
Adsorption of Ar on planar surfaces studied with a density functional theory |
| title_short |
Adsorption of Ar on planar surfaces studied with a density functional theory |
| title_full |
Adsorption of Ar on planar surfaces studied with a density functional theory |
| title_fullStr |
Adsorption of Ar on planar surfaces studied with a density functional theory |
| title_full_unstemmed |
Adsorption of Ar on planar surfaces studied with a density functional theory |
| title_sort |
adsorption of ar on planar surfaces studied with a density functional theory |
| url |
http://hdl.handle.net/20.500.12110/paper_15393755_v80_n5_p_Sartarelli |
| work_keys_str_mv |
AT sartarellisa adsorptionofaronplanarsurfacesstudiedwithadensityfunctionaltheory AT szybiszl adsorptionofaronplanarsurfacesstudiedwithadensityfunctionaltheory |
| _version_ |
1782028014702297088 |