A model for molecular adsorption on the surface of a columnar structure including steric effects and adsorbate–adsorbate repulsive interactions
- Autores
- Gómez, M. M.; Vara, J. M.; Hernández, J. C.; Salvarezza, Roberto Carlos; Arvia, Alejandro Jorge
- Año de publicación
- 2001
- Idioma
- inglés
- Tipo de recurso
- artículo
- Estado
- versión publicada
- Descripción
- 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 (f), 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 (oph) at constant potential (E > Epzc)
Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas - Materia
-
Ciencias Exactas
Química
Adsorption at columnar surfaces
Adsorption modelling
Monte Carlo simulation
1,10-Phenantroline adsorption on gold - Nivel de accesibilidad
- acceso abierto
- Condiciones de uso
- http://creativecommons.org/licenses/by-nc-sa/4.0/
- Repositorio
- Institución
- Universidad Nacional de La Plata
- OAI Identificador
- oai:sedici.unlp.edu.ar:10915/118554
Ver los metadatos del registro completo
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A model for molecular adsorption on the surface of a columnar structure including steric effects and adsorbate–adsorbate repulsive interactionsGómez, M. M.Vara, J. M.Hernández, J. C.Salvarezza, Roberto CarlosArvia, Alejandro JorgeCiencias ExactasQuímicaAdsorption at columnar surfacesAdsorption modellingMonte Carlo simulation1,10-Phenantroline adsorption on goldTwo-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>)Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas2001info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionArticulohttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdf405–413http://sedici.unlp.edu.ar/handle/10915/118554enginfo:eu-repo/semantics/altIdentifier/issn/0013-4686info:eu-repo/semantics/altIdentifier/doi/10.1016/S0013-4686(01)00731-9info:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by-nc-sa/4.0/Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)reponame:SEDICI (UNLP)instname:Universidad Nacional de La Platainstacron:UNLP2025-09-29T11:27:54Zoai:sedici.unlp.edu.ar:10915/118554Institucionalhttp://sedici.unlp.edu.ar/Universidad públicaNo correspondehttp://sedici.unlp.edu.ar/oai/snrdalira@sedici.unlp.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:13292025-09-29 11:27:54.958SEDICI (UNLP) - Universidad Nacional de La Platafalse |
dc.title.none.fl_str_mv |
A model for molecular adsorption on the surface of a columnar structure including steric effects and adsorbate–adsorbate repulsive interactions |
title |
A model for molecular adsorption on the surface of a columnar structure including steric effects and adsorbate–adsorbate repulsive interactions |
spellingShingle |
A model for molecular adsorption on the surface of a columnar structure including steric effects and adsorbate–adsorbate repulsive interactions Gómez, M. M. Ciencias Exactas Química Adsorption at columnar surfaces Adsorption modelling Monte Carlo simulation 1,10-Phenantroline adsorption on gold |
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 |
A model for molecular adsorption on the surface of a columnar structure including steric effects and adsorbate–adsorbate repulsive interactions |
dc.creator.none.fl_str_mv |
Gómez, M. M. Vara, J. M. Hernández, J. C. Salvarezza, Roberto Carlos Arvia, Alejandro Jorge |
author |
Gómez, M. M. |
author_facet |
Gómez, M. M. Vara, J. M. Hernández, J. C. Salvarezza, Roberto Carlos Arvia, Alejandro Jorge |
author_role |
author |
author2 |
Vara, J. M. Hernández, J. C. Salvarezza, Roberto Carlos Arvia, Alejandro Jorge |
author2_role |
author author author author |
dc.subject.none.fl_str_mv |
Ciencias Exactas Química Adsorption at columnar surfaces Adsorption modelling Monte Carlo simulation 1,10-Phenantroline adsorption on gold |
topic |
Ciencias Exactas Química Adsorption at columnar surfaces Adsorption modelling Monte Carlo simulation 1,10-Phenantroline adsorption on gold |
dc.description.none.fl_txt_mv |
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>) Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas |
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>) |
publishDate |
2001 |
dc.date.none.fl_str_mv |
2001 |
dc.type.none.fl_str_mv |
info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion Articulo http://purl.org/coar/resource_type/c_6501 info:ar-repo/semantics/articulo |
format |
article |
status_str |
publishedVersion |
dc.identifier.none.fl_str_mv |
http://sedici.unlp.edu.ar/handle/10915/118554 |
url |
http://sedici.unlp.edu.ar/handle/10915/118554 |
dc.language.none.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
info:eu-repo/semantics/altIdentifier/issn/0013-4686 info:eu-repo/semantics/altIdentifier/doi/10.1016/S0013-4686(01)00731-9 |
dc.rights.none.fl_str_mv |
info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by-nc-sa/4.0/ Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
eu_rights_str_mv |
openAccess |
rights_invalid_str_mv |
http://creativecommons.org/licenses/by-nc-sa/4.0/ Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
dc.format.none.fl_str_mv |
application/pdf 405–413 |
dc.source.none.fl_str_mv |
reponame:SEDICI (UNLP) instname:Universidad Nacional de La Plata instacron:UNLP |
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SEDICI (UNLP) |
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repository.name.fl_str_mv |
SEDICI (UNLP) - Universidad Nacional de La Plata |
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alira@sedici.unlp.edu.ar |
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