Lattice-gas modeling of enantioselective adsorption by template chiral substrates

Autores
Romá, Federico José; Stacchiola, Dario Jose; Tysoe, Wilfred T.; Zgrablich, Jorge Andres
Año de publicación
2004
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The general behavior of enantioselective adsorption by templated chiral substrates is studied inthe framework of lattice-gas and random sequential adsorption theories. The template is assumedto be formed by randomly preadsorbing a chiral species A on a square lattice of sites. A secondchiral probe species, B, thus performs a random sequential adsorption process on the templatedsubstrate and the enantioselectivity of the process with respect to one of the B enantiomersis obtained as a function of the relevant parameters of the model. All species considered inthe present study are considered as monomers, i.e., they occupy a single adsorption site. In anextension of the simple model, the possibility that the chiral probe species can themselves actas templates is taken into account.It is shown how di5erent arrangements of A molecules on the surface generate di5erent enantioselectivities as a function of coverage, some of which have been observed experimentally.
Fil: Romá, Federico José. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis; Argentina. Universidad Nacional de San Luis. Facultad de Ciencias Fisico Matematicas y Naturales. Departamento de Fisica. Laboratorio de Ciencias de Superficies y Medios Porosos; Argentina
Fil: Stacchiola, Dario Jose. University of Wisconsin; Estados Unidos
Fil: Tysoe, Wilfred T.. University of Wisconsin; Estados Unidos
Fil: Zgrablich, Jorge Andres. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis; Argentina. Universidad Autónoma Metropolitana; México
Materia
Chiral catalysis
Enantioselectivity
Adsorption
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/156397
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/156397
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Lattice-gas modeling of enantioselective adsorption by template chiral substratesRomá, Federico JoséStacchiola, Dario JoseTysoe, Wilfred T.Zgrablich, Jorge AndresChiral catalysisEnantioselectivityAdsorptionhttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1The general behavior of enantioselective adsorption by templated chiral substrates is studied inthe framework of lattice-gas and random sequential adsorption theories. The template is assumedto be formed by randomly preadsorbing a chiral species A on a square lattice of sites. A secondchiral probe species, B, thus performs a random sequential adsorption process on the templatedsubstrate and the enantioselectivity of the process with respect to one of the B enantiomersis obtained as a function of the relevant parameters of the model. All species considered inthe present study are considered as monomers, i.e., they occupy a single adsorption site. In anextension of the simple model, the possibility that the chiral probe species can themselves actas templates is taken into account.It is shown how di5erent arrangements of A molecules on the surface generate di5erent enantioselectivities as a function of coverage, some of which have been observed experimentally.Fil: Romá, Federico José. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis; Argentina. Universidad Nacional de San Luis. Facultad de Ciencias Fisico Matematicas y Naturales. Departamento de Fisica. Laboratorio de Ciencias de Superficies y Medios Porosos; ArgentinaFil: Stacchiola, Dario Jose. University of Wisconsin; Estados UnidosFil: Tysoe, Wilfred T.. University of Wisconsin; Estados UnidosFil: Zgrablich, Jorge Andres. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis; Argentina. Universidad Autónoma Metropolitana; MéxicoElsevier Science2004-07-15info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/156397Romá, Federico José; Stacchiola, Dario Jose; Tysoe, Wilfred T.; Zgrablich, Jorge Andres; Lattice-gas modeling of enantioselective adsorption by template chiral substrates; Elsevier Science; Physica A: Statistical Mechanics and its Applications; 338; 3-4; 15-7-2004; 493-5100378-4371CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/abs/pii/S0378437104003012info:eu-repo/semantics/altIdentifier/doi/10.1016/j.physa.2004.03.024info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-nd/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:27:31Zoai:ri.conicet.gov.ar:11336/156397instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-29 10:27:31.867CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Lattice-gas modeling of enantioselective adsorption by template chiral substrates
title Lattice-gas modeling of enantioselective adsorption by template chiral substrates
spellingShingle Lattice-gas modeling of enantioselective adsorption by template chiral substrates
Romá, Federico José
Chiral catalysis
Enantioselectivity
Adsorption
title_short Lattice-gas modeling of enantioselective adsorption by template chiral substrates
title_full Lattice-gas modeling of enantioselective adsorption by template chiral substrates
title_fullStr Lattice-gas modeling of enantioselective adsorption by template chiral substrates
title_full_unstemmed Lattice-gas modeling of enantioselective adsorption by template chiral substrates
title_sort Lattice-gas modeling of enantioselective adsorption by template chiral substrates
dc.creator.none.fl_str_mv Romá, Federico José
Stacchiola, Dario Jose
Tysoe, Wilfred T.
Zgrablich, Jorge Andres
author Romá, Federico José
author_facet Romá, Federico José
Stacchiola, Dario Jose
Tysoe, Wilfred T.
Zgrablich, Jorge Andres
author_role author
author2 Stacchiola, Dario Jose
Tysoe, Wilfred T.
Zgrablich, Jorge Andres
author2_role author
author
author
dc.subject.none.fl_str_mv Chiral catalysis
Enantioselectivity
Adsorption
topic Chiral catalysis
Enantioselectivity
Adsorption
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv The general behavior of enantioselective adsorption by templated chiral substrates is studied inthe framework of lattice-gas and random sequential adsorption theories. The template is assumedto be formed by randomly preadsorbing a chiral species A on a square lattice of sites. A secondchiral probe species, B, thus performs a random sequential adsorption process on the templatedsubstrate and the enantioselectivity of the process with respect to one of the B enantiomersis obtained as a function of the relevant parameters of the model. All species considered inthe present study are considered as monomers, i.e., they occupy a single adsorption site. In anextension of the simple model, the possibility that the chiral probe species can themselves actas templates is taken into account.It is shown how di5erent arrangements of A molecules on the surface generate di5erent enantioselectivities as a function of coverage, some of which have been observed experimentally.
Fil: Romá, Federico José. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis; Argentina. Universidad Nacional de San Luis. Facultad de Ciencias Fisico Matematicas y Naturales. Departamento de Fisica. Laboratorio de Ciencias de Superficies y Medios Porosos; Argentina
Fil: Stacchiola, Dario Jose. University of Wisconsin; Estados Unidos
Fil: Tysoe, Wilfred T.. University of Wisconsin; Estados Unidos
Fil: Zgrablich, Jorge Andres. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis; Argentina. Universidad Autónoma Metropolitana; México
description The general behavior of enantioselective adsorption by templated chiral substrates is studied inthe framework of lattice-gas and random sequential adsorption theories. The template is assumedto be formed by randomly preadsorbing a chiral species A on a square lattice of sites. A secondchiral probe species, B, thus performs a random sequential adsorption process on the templatedsubstrate and the enantioselectivity of the process with respect to one of the B enantiomersis obtained as a function of the relevant parameters of the model. All species considered inthe present study are considered as monomers, i.e., they occupy a single adsorption site. In anextension of the simple model, the possibility that the chiral probe species can themselves actas templates is taken into account.It is shown how di5erent arrangements of A molecules on the surface generate di5erent enantioselectivities as a function of coverage, some of which have been observed experimentally.
publishDate 2004
dc.date.none.fl_str_mv 2004-07-15
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
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://hdl.handle.net/11336/156397
Romá, Federico José; Stacchiola, Dario Jose; Tysoe, Wilfred T.; Zgrablich, Jorge Andres; Lattice-gas modeling of enantioselective adsorption by template chiral substrates; Elsevier Science; Physica A: Statistical Mechanics and its Applications; 338; 3-4; 15-7-2004; 493-510
0378-4371
CONICET Digital
CONICET
url http://hdl.handle.net/11336/156397
identifier_str_mv Romá, Federico José; Stacchiola, Dario Jose; Tysoe, Wilfred T.; Zgrablich, Jorge Andres; Lattice-gas modeling of enantioselective adsorption by template chiral substrates; Elsevier Science; Physica A: Statistical Mechanics and its Applications; 338; 3-4; 15-7-2004; 493-510
0378-4371
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/abs/pii/S0378437104003012
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.physa.2004.03.024
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
application/pdf
dc.publisher.none.fl_str_mv Elsevier Science
publisher.none.fl_str_mv Elsevier Science
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 13.070432

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