Theoretical and experimental study of isothiazolinone adsorption onto ordered mesoporous silica

Autores
Mardones, Lucas; Legnoverde, María Soledad; Simonetti, Sandra
Año de publicación
2016
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Mesoporous silica SBA-15 particles were synthesized in order to evaluate their effectiveness asencapsulating agents for a commercial biocide composed of a mixture of methylisothiazolinone andchloromethylisothiazolinone (MIT/CMIT). Three powdered samples of silica particles having differenttextural properties, sizes and morphologies were hydrothermally obtained and then characterized bySEM, TEM, SAXS, and nitrogen adsorption–desorption measurements. Adsorption of the biocide on theprepared materials was investigated, and the results showed that adsorption capacities increase as theparticle size becomes smaller. Higher biocide amounts were also retained on particles having increasedpore size and pore volume. Additionally, a most probable interaction mechanism between MIT/CMIT andSBA-15 is proposed on the basis of molecular modeling calculations. The theoretical approach indicatesthat two adsorption geometries with comparable minimum levels of strength can be adopted by the bio-cide: planar adsorption when the biocide molecule rings are adsorbed on the silica surface and verticaladsorption when the O atom of the MIT/CMIT interacts with the H atom of silanols.
Fil: Mardones, Lucas. UTN (Universidad Tecnológica Nacional). CITEMA (Centro de Investigación y Desarrollo en Ciencia y Tecnología de Materiales). UNLP (Universidad Nacional La Plata). CINDECA; Argentina
Fil: Legnoverde, María Soledad. UTN (Universidad Tecnológica Nacional). CITEMA (Centro de Investigación y Desarrollo en Ciencia y Tecnología de Materiales). UNLP (Universidad Nacional La Plata). CINDECA; Argentina
Fil: Simonetti, Sandra. Universidad Nacional del Sur. Departamento de Física y IFISUR. CONICET. Universidad Tecnológica Nacional. Departamentos de Ciencias Básicas e Ingeniería Mecánica; Argentina
Fil: Basaldella, Elena. UTN (Universidad Tecnológica Nacional). CITEMA (Centro de Investigación y Desarrollo en Ciencia y Tecnología de Materiales). UNLP (Universidad Nacional La Plata). CINDECA; Argentina
Peer Reviewed
Materia
SBA-15, Isothiazolinone, Adsorption
Nivel de accesibilidad
acceso abierto
Condiciones de uso
Atribución (Attribution): En cualquier explotación de la obra autorizada por la licencia será necesario reconocer la autoría (obligatoria en todos los casos). No comercial (Non Commercial): La explotación de la obra queda limitada a usos no comerciales. Sin obras derivadas (No Derivate Works): La autorización para explotar la obra no incluye la posibilidad de crear una obra derivada (traducciones, adaptaciones, etc.).
Repositorio
Repositorio Institucional Abierto (UTN)
Institución
Universidad Tecnológica Nacional
OAI Identificador
oai:ria.utn.edu.ar:20.500.12272/3116
Acceder
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network_acronym_str RIAUTN
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network_name_str Repositorio Institucional Abierto (UTN)
spelling Theoretical and experimental study of isothiazolinone adsorption onto ordered mesoporous silicaMardones, LucasLegnoverde, María SoledadSimonetti, SandraSBA-15, Isothiazolinone, AdsorptionMesoporous silica SBA-15 particles were synthesized in order to evaluate their effectiveness asencapsulating agents for a commercial biocide composed of a mixture of methylisothiazolinone andchloromethylisothiazolinone (MIT/CMIT). Three powdered samples of silica particles having differenttextural properties, sizes and morphologies were hydrothermally obtained and then characterized bySEM, TEM, SAXS, and nitrogen adsorption–desorption measurements. Adsorption of the biocide on theprepared materials was investigated, and the results showed that adsorption capacities increase as theparticle size becomes smaller. Higher biocide amounts were also retained on particles having increasedpore size and pore volume. Additionally, a most probable interaction mechanism between MIT/CMIT andSBA-15 is proposed on the basis of molecular modeling calculations. The theoretical approach indicatesthat two adsorption geometries with comparable minimum levels of strength can be adopted by the bio-cide: planar adsorption when the biocide molecule rings are adsorbed on the silica surface and verticaladsorption when the O atom of the MIT/CMIT interacts with the H atom of silanols.Fil: Mardones, Lucas. UTN (Universidad Tecnológica Nacional). CITEMA (Centro de Investigación y Desarrollo en Ciencia y Tecnología de Materiales). UNLP (Universidad Nacional La Plata). CINDECA; ArgentinaFil: Legnoverde, María Soledad. UTN (Universidad Tecnológica Nacional). CITEMA (Centro de Investigación y Desarrollo en Ciencia y Tecnología de Materiales). UNLP (Universidad Nacional La Plata). CINDECA; ArgentinaFil: Simonetti, Sandra. Universidad Nacional del Sur. Departamento de Física y IFISUR. CONICET. Universidad Tecnológica Nacional. Departamentos de Ciencias Básicas e Ingeniería Mecánica; ArgentinaFil: Basaldella, Elena. UTN (Universidad Tecnológica Nacional). CITEMA (Centro de Investigación y Desarrollo en Ciencia y Tecnología de Materiales). UNLP (Universidad Nacional La Plata). CINDECA; ArgentinaPeer ReviewedElsevier2018-09-14T15:36:43Z2018-09-14T15:36:43Z2016info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfApplied Surface Sciencehttp://hdl.handle.net/20.500.12272/311610.1016/j.apsusc.2016.07.113enghttp://dx.doi.org/10.1016/j.apsusc.2016.07.113info:eu-repo/semantics/openAccessAtribución (Attribution): En cualquier explotación de la obra autorizada por la licencia será necesario reconocer la autoría (obligatoria en todos los casos). No comercial (Non Commercial): La explotación de la obra queda limitada a usos no comerciales. Sin obras derivadas (No Derivate Works): La autorización para explotar la obra no incluye la posibilidad de crear una obra derivada (traducciones, adaptaciones, etc.).reponame:Repositorio Institucional Abierto (UTN)instname:Universidad Tecnológica Nacional2025-09-04T11:14:46Zoai:ria.utn.edu.ar:20.500.12272/3116instacron:UTNInstitucionalhttp://ria.utn.edu.ar/Universidad públicaNo correspondehttp://ria.utn.edu.ar/oaigestionria@rec.utn.edu.ar; fsuarez@rec.utn.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:a2025-09-04 11:14:46.543Repositorio Institucional Abierto (UTN) - Universidad Tecnológica Nacionalfalse
dc.title.none.fl_str_mv Theoretical and experimental study of isothiazolinone adsorption onto ordered mesoporous silica
title Theoretical and experimental study of isothiazolinone adsorption onto ordered mesoporous silica
spellingShingle Theoretical and experimental study of isothiazolinone adsorption onto ordered mesoporous silica
Mardones, Lucas
SBA-15, Isothiazolinone, Adsorption
title_short Theoretical and experimental study of isothiazolinone adsorption onto ordered mesoporous silica
title_full Theoretical and experimental study of isothiazolinone adsorption onto ordered mesoporous silica
title_fullStr Theoretical and experimental study of isothiazolinone adsorption onto ordered mesoporous silica
title_full_unstemmed Theoretical and experimental study of isothiazolinone adsorption onto ordered mesoporous silica
title_sort Theoretical and experimental study of isothiazolinone adsorption onto ordered mesoporous silica
dc.creator.none.fl_str_mv Mardones, Lucas
Legnoverde, María Soledad
Simonetti, Sandra
author Mardones, Lucas
author_facet Mardones, Lucas
Legnoverde, María Soledad
Simonetti, Sandra
author_role author
author2 Legnoverde, María Soledad
Simonetti, Sandra
author2_role author
author
dc.subject.none.fl_str_mv SBA-15, Isothiazolinone, Adsorption
topic SBA-15, Isothiazolinone, Adsorption
dc.description.none.fl_txt_mv Mesoporous silica SBA-15 particles were synthesized in order to evaluate their effectiveness asencapsulating agents for a commercial biocide composed of a mixture of methylisothiazolinone andchloromethylisothiazolinone (MIT/CMIT). Three powdered samples of silica particles having differenttextural properties, sizes and morphologies were hydrothermally obtained and then characterized bySEM, TEM, SAXS, and nitrogen adsorption–desorption measurements. Adsorption of the biocide on theprepared materials was investigated, and the results showed that adsorption capacities increase as theparticle size becomes smaller. Higher biocide amounts were also retained on particles having increasedpore size and pore volume. Additionally, a most probable interaction mechanism between MIT/CMIT andSBA-15 is proposed on the basis of molecular modeling calculations. The theoretical approach indicatesthat two adsorption geometries with comparable minimum levels of strength can be adopted by the bio-cide: planar adsorption when the biocide molecule rings are adsorbed on the silica surface and verticaladsorption when the O atom of the MIT/CMIT interacts with the H atom of silanols.
Fil: Mardones, Lucas. UTN (Universidad Tecnológica Nacional). CITEMA (Centro de Investigación y Desarrollo en Ciencia y Tecnología de Materiales). UNLP (Universidad Nacional La Plata). CINDECA; Argentina
Fil: Legnoverde, María Soledad. UTN (Universidad Tecnológica Nacional). CITEMA (Centro de Investigación y Desarrollo en Ciencia y Tecnología de Materiales). UNLP (Universidad Nacional La Plata). CINDECA; Argentina
Fil: Simonetti, Sandra. Universidad Nacional del Sur. Departamento de Física y IFISUR. CONICET. Universidad Tecnológica Nacional. Departamentos de Ciencias Básicas e Ingeniería Mecánica; Argentina
Fil: Basaldella, Elena. UTN (Universidad Tecnológica Nacional). CITEMA (Centro de Investigación y Desarrollo en Ciencia y Tecnología de Materiales). UNLP (Universidad Nacional La Plata). CINDECA; Argentina
Peer Reviewed
description Mesoporous silica SBA-15 particles were synthesized in order to evaluate their effectiveness asencapsulating agents for a commercial biocide composed of a mixture of methylisothiazolinone andchloromethylisothiazolinone (MIT/CMIT). Three powdered samples of silica particles having differenttextural properties, sizes and morphologies were hydrothermally obtained and then characterized bySEM, TEM, SAXS, and nitrogen adsorption–desorption measurements. Adsorption of the biocide on theprepared materials was investigated, and the results showed that adsorption capacities increase as theparticle size becomes smaller. Higher biocide amounts were also retained on particles having increasedpore size and pore volume. Additionally, a most probable interaction mechanism between MIT/CMIT andSBA-15 is proposed on the basis of molecular modeling calculations. The theoretical approach indicatesthat two adsorption geometries with comparable minimum levels of strength can be adopted by the bio-cide: planar adsorption when the biocide molecule rings are adsorbed on the silica surface and verticaladsorption when the O atom of the MIT/CMIT interacts with the H atom of silanols.
publishDate 2016
dc.date.none.fl_str_mv 2016
2018-09-14T15:36:43Z
2018-09-14T15:36:43Z
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 Applied Surface Science
http://hdl.handle.net/20.500.12272/3116
10.1016/j.apsusc.2016.07.113
identifier_str_mv Applied Surface Science
10.1016/j.apsusc.2016.07.113
url http://hdl.handle.net/20.500.12272/3116
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv http://dx.doi.org/10.1016/j.apsusc.2016.07.113
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
Atribución (Attribution): En cualquier explotación de la obra autorizada por la licencia será necesario reconocer la autoría (obligatoria en todos los casos). No comercial (Non Commercial): La explotación de la obra queda limitada a usos no comerciales. Sin obras derivadas (No Derivate Works): La autorización para explotar la obra no incluye la posibilidad de crear una obra derivada (traducciones, adaptaciones, etc.).
eu_rights_str_mv openAccess
rights_invalid_str_mv Atribución (Attribution): En cualquier explotación de la obra autorizada por la licencia será necesario reconocer la autoría (obligatoria en todos los casos). No comercial (Non Commercial): La explotación de la obra queda limitada a usos no comerciales. Sin obras derivadas (No Derivate Works): La autorización para explotar la obra no incluye la posibilidad de crear una obra derivada (traducciones, adaptaciones, etc.).
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
dc.source.none.fl_str_mv reponame:Repositorio Institucional Abierto (UTN)
instname:Universidad Tecnológica Nacional
reponame_str Repositorio Institucional Abierto (UTN)
collection Repositorio Institucional Abierto (UTN)
instname_str Universidad Tecnológica Nacional
repository.name.fl_str_mv Repositorio Institucional Abierto (UTN) - Universidad Tecnológica Nacional
repository.mail.fl_str_mv gestionria@rec.utn.edu.ar; fsuarez@rec.utn.edu.ar
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