Theoretical and experimental study of isothiazolinone adsorption onto ordered mesoporous silica

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 p...

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Autores principales: Mardones, Lucas, Legnoverde, María Soledad, Simonetti, Sandra
Formato: Artículo publishedVersion
Lenguaje:Inglés
Publicado: Elsevier 2018
Materias:
SBA-15, Isothiazolinone, Adsorption
Acceso en línea:http://hdl.handle.net/20.500.12272/3116
Aporte de:
RIA - Repositorio Institucional Abierto (UTN) de Universidad Tecnológica Nacional
id I68-R174-20.500.12272-3116
record_format dspace
institution Universidad Tecnológica Nacional
institution_str I-68
repository_str R-174
collection RIA - Repositorio Institucional Abierto (UTN)
language Inglés
topic SBA-15, Isothiazolinone, Adsorption
spellingShingle SBA-15, Isothiazolinone, Adsorption
Mardones, Lucas
Legnoverde, María Soledad
Simonetti, Sandra
Theoretical and experimental study of isothiazolinone adsorption onto ordered mesoporous silica
topic_facet SBA-15, Isothiazolinone, Adsorption
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.
format Artículo
publishedVersion
Artículo
author Mardones, Lucas
Legnoverde, María Soledad
Simonetti, Sandra
author_facet Mardones, Lucas
Legnoverde, María Soledad
Simonetti, Sandra
author_sort Mardones, Lucas
title Theoretical and experimental study of isothiazolinone adsorption onto ordered mesoporous silica
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
publisher Elsevier
publishDate 2018
url http://hdl.handle.net/20.500.12272/3116
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AT simonettisandra theoreticalandexperimentalstudyofisothiazolinoneadsorptionontoorderedmesoporoussilica
bdutipo_str Repositorios
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