Molecular dynamics and solid-solid phase transformation kinetics studies of tert-butyl chloride confined in mesoporous silica by NQR

Autores
Eimer, Griselda Alejandra; Fernandez, Julio Daniel; Brunetti, Aldo Hector
Año de publicación
2005
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
In this paper, we study the effect of a porous adsorbent, such as silica with a pore diameter of 375 Å on the molecular dynamics and the solid-solid phase transformations of tert-butyl chloride (t-BC) inside the pores by means of chlorine nuclear quadrupole resonance (NQR). The spin-lattice relaxation time (T1) and the resonance frequency (νQ) as a function of temperature for t-BC, both in bulk and confined in the silica mesopores, have been measured. Changes are observed in the molecular dynamics and in the phase transition temperatures of the t-BC confined in the pores with respect to those corresponding to the t-BC in bulk. Likewise, phase transformation kinetics would seem to be altered due to restrictions of the molecular movement as a consequence of the confinement inside the porous material.
Fil: Eimer, Griselda Alejandra. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Centro de Investigación y Tecnología Química. Universidad Tecnológica Nacional. Facultad Regional Córdoba. Centro de Investigación y Tecnología Química; Argentina
Fil: Fernandez, Julio Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Centro de Investigación y Tecnología Química. Universidad Tecnológica Nacional. Facultad Regional Córdoba. Centro de Investigación y Tecnología Química; Argentina
Fil: Brunetti, Aldo Hector. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía y Física; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Materia
Molecular Dynamics
Nqr
Phase Transitions
Silica
Tert-Butyl Chloride
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:11336/36641
Acceder
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network_name_str CONICET Digital (CONICET)
spelling Molecular dynamics and solid-solid phase transformation kinetics studies of tert-butyl chloride confined in mesoporous silica by NQREimer, Griselda AlejandraFernandez, Julio DanielBrunetti, Aldo HectorMolecular DynamicsNqrPhase TransitionsSilicaTert-Butyl ChlorideIn this paper, we study the effect of a porous adsorbent, such as silica with a pore diameter of 375 Å on the molecular dynamics and the solid-solid phase transformations of tert-butyl chloride (t-BC) inside the pores by means of chlorine nuclear quadrupole resonance (NQR). The spin-lattice relaxation time (T1) and the resonance frequency (νQ) as a function of temperature for t-BC, both in bulk and confined in the silica mesopores, have been measured. Changes are observed in the molecular dynamics and in the phase transition temperatures of the t-BC confined in the pores with respect to those corresponding to the t-BC in bulk. Likewise, phase transformation kinetics would seem to be altered due to restrictions of the molecular movement as a consequence of the confinement inside the porous material.Fil: Eimer, Griselda Alejandra. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Centro de Investigación y Tecnología Química. Universidad Tecnológica Nacional. Facultad Regional Córdoba. Centro de Investigación y Tecnología Química; ArgentinaFil: Fernandez, Julio Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Centro de Investigación y Tecnología Química. Universidad Tecnológica Nacional. Facultad Regional Córdoba. Centro de Investigación y Tecnología Química; ArgentinaFil: Brunetti, Aldo Hector. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía y Física; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaElsevier Science2005-10-06info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/36641Eimer, Griselda Alejandra; Fernandez, Julio Daniel; Brunetti, Aldo Hector; Molecular dynamics and solid-solid phase transformation kinetics studies of tert-butyl chloride confined in mesoporous silica by NQR; Elsevier Science; Catalysis Today; 107-108; 6-10-2005; 741-7490920-5861CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1016/j.cattod.2005.07.005info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0920586105003755info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-nd/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:48:06Zoai:ri.conicet.gov.ar:11336/36641instacron: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:34982025-09-03 09:48:06.773CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Molecular dynamics and solid-solid phase transformation kinetics studies of tert-butyl chloride confined in mesoporous silica by NQR
title Molecular dynamics and solid-solid phase transformation kinetics studies of tert-butyl chloride confined in mesoporous silica by NQR
spellingShingle Molecular dynamics and solid-solid phase transformation kinetics studies of tert-butyl chloride confined in mesoporous silica by NQR
Eimer, Griselda Alejandra
Molecular Dynamics
Nqr
Phase Transitions
Silica
Tert-Butyl Chloride
title_short Molecular dynamics and solid-solid phase transformation kinetics studies of tert-butyl chloride confined in mesoporous silica by NQR
title_full Molecular dynamics and solid-solid phase transformation kinetics studies of tert-butyl chloride confined in mesoporous silica by NQR
title_fullStr Molecular dynamics and solid-solid phase transformation kinetics studies of tert-butyl chloride confined in mesoporous silica by NQR
title_full_unstemmed Molecular dynamics and solid-solid phase transformation kinetics studies of tert-butyl chloride confined in mesoporous silica by NQR
title_sort Molecular dynamics and solid-solid phase transformation kinetics studies of tert-butyl chloride confined in mesoporous silica by NQR
dc.creator.none.fl_str_mv Eimer, Griselda Alejandra
Fernandez, Julio Daniel
Brunetti, Aldo Hector
author Eimer, Griselda Alejandra
author_facet Eimer, Griselda Alejandra
Fernandez, Julio Daniel
Brunetti, Aldo Hector
author_role author
author2 Fernandez, Julio Daniel
Brunetti, Aldo Hector
author2_role author
author
dc.subject.none.fl_str_mv Molecular Dynamics
Nqr
Phase Transitions
Silica
Tert-Butyl Chloride
topic Molecular Dynamics
Nqr
Phase Transitions
Silica
Tert-Butyl Chloride
dc.description.none.fl_txt_mv In this paper, we study the effect of a porous adsorbent, such as silica with a pore diameter of 375 Å on the molecular dynamics and the solid-solid phase transformations of tert-butyl chloride (t-BC) inside the pores by means of chlorine nuclear quadrupole resonance (NQR). The spin-lattice relaxation time (T1) and the resonance frequency (νQ) as a function of temperature for t-BC, both in bulk and confined in the silica mesopores, have been measured. Changes are observed in the molecular dynamics and in the phase transition temperatures of the t-BC confined in the pores with respect to those corresponding to the t-BC in bulk. Likewise, phase transformation kinetics would seem to be altered due to restrictions of the molecular movement as a consequence of the confinement inside the porous material.
Fil: Eimer, Griselda Alejandra. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Centro de Investigación y Tecnología Química. Universidad Tecnológica Nacional. Facultad Regional Córdoba. Centro de Investigación y Tecnología Química; Argentina
Fil: Fernandez, Julio Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Centro de Investigación y Tecnología Química. Universidad Tecnológica Nacional. Facultad Regional Córdoba. Centro de Investigación y Tecnología Química; Argentina
Fil: Brunetti, Aldo Hector. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía y Física; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
description In this paper, we study the effect of a porous adsorbent, such as silica with a pore diameter of 375 Å on the molecular dynamics and the solid-solid phase transformations of tert-butyl chloride (t-BC) inside the pores by means of chlorine nuclear quadrupole resonance (NQR). The spin-lattice relaxation time (T1) and the resonance frequency (νQ) as a function of temperature for t-BC, both in bulk and confined in the silica mesopores, have been measured. Changes are observed in the molecular dynamics and in the phase transition temperatures of the t-BC confined in the pores with respect to those corresponding to the t-BC in bulk. Likewise, phase transformation kinetics would seem to be altered due to restrictions of the molecular movement as a consequence of the confinement inside the porous material.
publishDate 2005
dc.date.none.fl_str_mv 2005-10-06
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/11336/36641
Eimer, Griselda Alejandra; Fernandez, Julio Daniel; Brunetti, Aldo Hector; Molecular dynamics and solid-solid phase transformation kinetics studies of tert-butyl chloride confined in mesoporous silica by NQR; Elsevier Science; Catalysis Today; 107-108; 6-10-2005; 741-749
0920-5861
CONICET Digital
CONICET
url http://hdl.handle.net/11336/36641
identifier_str_mv Eimer, Griselda Alejandra; Fernandez, Julio Daniel; Brunetti, Aldo Hector; Molecular dynamics and solid-solid phase transformation kinetics studies of tert-butyl chloride confined in mesoporous silica by NQR; Elsevier Science; Catalysis Today; 107-108; 6-10-2005; 741-749
0920-5861
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1016/j.cattod.2005.07.005
info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0920586105003755
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
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 13.13397

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