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...

Descripción completa

Guardado en:
Detalles Bibliográficos
Autores principales: Sartarelli, Salvador Andres, Szybisz, Leszek
Publicado: 2009
Materias:
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
Acceso en línea:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_15393755_v80_n5_p_Sartarelli
http://hdl.handle.net/20.500.12110/paper_15393755_v80_n5_p_Sartarelli
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
id paper:paper_15393755_v80_n5_p_Sartarelli
record_format dspace
spelling paper:paper_15393755_v80_n5_p_Sartarelli2023-06-08T16:20:45Z Adsorption of Ar on planar surfaces studied with a density functional theory Sartarelli, Salvador Andres Szybisz, Leszek 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. 2009 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_15393755_v80_n5_p_Sartarelli 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
collection 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, Salvador Andres
Szybisz, Leszek
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.
author Sartarelli, Salvador Andres
Szybisz, Leszek
author_facet Sartarelli, Salvador Andres
Szybisz, Leszek
author_sort Sartarelli, Salvador Andres
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
publishDate 2009
url https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_15393755_v80_n5_p_Sartarelli
http://hdl.handle.net/20.500.12110/paper_15393755_v80_n5_p_Sartarelli
work_keys_str_mv AT sartarellisalvadorandres adsorptionofaronplanarsurfacesstudiedwithadensityfunctionaltheory
AT szybiszleszek adsorptionofaronplanarsurfacesstudiedwithadensityfunctionaltheory
_version_ 1768545617745805312

Ejemplares similares