A model for molecular adsorption on the surface of a columnar structure including steric effects and adsorbate–adsorbate repulsive interactions

Two-dimensional Monte Carlo simulations for adsorption on a columnar structured substrate were made to explore the steric effects of pore width and depth on molecular adsorption under adsorbate-adsorbate repulsive interactions. Simulation adsorption data fit a Frumkin-type isotherm for each set of p...

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Detalles Bibliográficos
Autores principales: Gómez, M. M., Vara, J. M., Hernández, J. C., Salvarezza, Roberto Carlos, Arvia, Alejandro Jorge
Formato: Articulo
Lenguaje:Inglés
Publicado: 2001
Materias:
Ciencias Exactas
Química
Adsorption at columnar surfaces
Adsorption modelling
Monte Carlo simulation
1,10-Phenantroline adsorption on gold
Acceso en línea:http://sedici.unlp.edu.ar/handle/10915/118554
Aporte de:
SEDICI (UNLP) de Universidad Nacional de La Plata
id I19-R120-10915-118554
record_format dspace
institution Universidad Nacional de La Plata
institution_str I-19
repository_str R-120
collection SEDICI (UNLP)
language Inglés
topic Ciencias Exactas
Química
Adsorption at columnar surfaces
Adsorption modelling
Monte Carlo simulation
1,10-Phenantroline adsorption on gold
spellingShingle Ciencias Exactas
Química
Adsorption at columnar surfaces
Adsorption modelling
Monte Carlo simulation
1,10-Phenantroline adsorption on gold
Gómez, M. M.
Vara, J. M.
Hernández, J. C.
Salvarezza, Roberto Carlos
Arvia, Alejandro Jorge
A model for molecular adsorption on the surface of a columnar structure including steric effects and adsorbate–adsorbate repulsive interactions
topic_facet Ciencias Exactas
Química
Adsorption at columnar surfaces
Adsorption modelling
Monte Carlo simulation
1,10-Phenantroline adsorption on gold
description Two-dimensional Monte Carlo simulations for adsorption on a columnar structured substrate were made to explore the steric effects of pore width and depth on molecular adsorption under adsorbate-adsorbate repulsive interactions. Simulation adsorption data fit a Frumkin-type isotherm for each set of pore width, depth and top column dimensions. As pore depth increases and pore width approaches the adsorbate molecular size, the surface coverage by adsorbed particles decreases sharply. Therefore, the adsorbate–adsorbate interaction parameters derived from the simulated isotherms exhibit a marked dependence on the substrate roughness factor (R). Phenomenologically, the influence of R on the isotherms is smoothed down by introducing a correction factor (<i>f</i>), which allowed us to collapse all simulated isotherms into a single isotherm. Results from the model are qualitatively compared to earlier observations about the influence of columnar structured gold surface roughness on the adsorption of 1,10-phenantroline in acid solution (<i>oph</i>) at constant potential (E > E<sub>pzc</sub>)
format Articulo
Articulo
author Gómez, M. M.
Vara, J. M.
Hernández, J. C.
Salvarezza, Roberto Carlos
Arvia, Alejandro Jorge
author_facet Gómez, M. M.
Vara, J. M.
Hernández, J. C.
Salvarezza, Roberto Carlos
Arvia, Alejandro Jorge
author_sort Gómez, M. M.
title A model for molecular adsorption on the surface of a columnar structure including steric effects and adsorbate–adsorbate repulsive interactions
title_short A model for molecular adsorption on the surface of a columnar structure including steric effects and adsorbate–adsorbate repulsive interactions
title_full A model for molecular adsorption on the surface of a columnar structure including steric effects and adsorbate–adsorbate repulsive interactions
title_fullStr A model for molecular adsorption on the surface of a columnar structure including steric effects and adsorbate–adsorbate repulsive interactions
title_full_unstemmed A model for molecular adsorption on the surface of a columnar structure including steric effects and adsorbate–adsorbate repulsive interactions
title_sort model for molecular adsorption on the surface of a columnar structure including steric effects and adsorbate–adsorbate repulsive interactions
publishDate 2001
url http://sedici.unlp.edu.ar/handle/10915/118554
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