An explanation for experimental behavior of hybrid metallocene silica-supported catalyst for ethylene polymerization

Autores
Aguiao Rodrigues, Silvia; Silveira, Fernando; dos Santos, J.H.Z.; Ferreira, María Luján
Año de publicación
2004
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
This work presents the results of homopolymerization of ethylene using an hybrid system (nBuCp)2ZrCl2-Cp2ZrCl 2, supported on silica. The catalytic systems were analyzed by RBS, DRIFTS and EXAFS and polyethylenes (PE) by GPC and DSC. The catalytic activities and the polymer properties showed dependence on the different ratio used (nBuCp)2ZrCl2/Cp2ZrCl2 at the preparation step. Theoretical studies permit us to conclude that the metallocenes interact with the surface in different ways. Depending on the addition order and the molar ratio between both metallocenes, distribution and nature of active species would be different. Possibility of binuclear active sites with different propagation and termination constants is analyzed and discussed. EHMO calculations allow us to conclude that Cp2ZrCl 2 has a strong affinity by AIS plane, whereas (nBuCp) 2ZrCl2 shows similar affinity for both silica planes.
Fil: Aguiao Rodrigues, Silvia. Universidade Federal do Rio Grande do Sul; Brasil
Fil: Silveira, Fernando. Universidade Federal do Rio Grande do Sul; Brasil
Fil: dos Santos, J.H.Z.. Universidade Federal do Rio Grande do Sul; Brasil
Fil: Ferreira, María Luján. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Planta Piloto de Ingeniería Química. Universidad Nacional del Sur. Planta Piloto de Ingeniería Química; Argentina
Materia
SUPPORTED METALLOCENES
THEORETICAL CHARACTERIZATION
ZIRCONOCENE
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/97832
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/97832
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling An explanation for experimental behavior of hybrid metallocene silica-supported catalyst for ethylene polymerizationAguiao Rodrigues, SilviaSilveira, Fernandodos Santos, J.H.Z.Ferreira, María LujánSUPPORTED METALLOCENESTHEORETICAL CHARACTERIZATIONZIRCONOCENEhttps://purl.org/becyt/ford/2.4https://purl.org/becyt/ford/2This work presents the results of homopolymerization of ethylene using an hybrid system (nBuCp)2ZrCl2-Cp2ZrCl 2, supported on silica. The catalytic systems were analyzed by RBS, DRIFTS and EXAFS and polyethylenes (PE) by GPC and DSC. The catalytic activities and the polymer properties showed dependence on the different ratio used (nBuCp)2ZrCl2/Cp2ZrCl2 at the preparation step. Theoretical studies permit us to conclude that the metallocenes interact with the surface in different ways. Depending on the addition order and the molar ratio between both metallocenes, distribution and nature of active species would be different. Possibility of binuclear active sites with different propagation and termination constants is analyzed and discussed. EHMO calculations allow us to conclude that Cp2ZrCl 2 has a strong affinity by AIS plane, whereas (nBuCp) 2ZrCl2 shows similar affinity for both silica planes.Fil: Aguiao Rodrigues, Silvia. Universidade Federal do Rio Grande do Sul; BrasilFil: Silveira, Fernando. Universidade Federal do Rio Grande do Sul; BrasilFil: dos Santos, J.H.Z.. Universidade Federal do Rio Grande do Sul; BrasilFil: Ferreira, María Luján. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Planta Piloto de Ingeniería Química. Universidad Nacional del Sur. Planta Piloto de Ingeniería Química; ArgentinaElsevier Science2004-07info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/97832Aguiao Rodrigues, Silvia; Silveira, Fernando; dos Santos, J.H.Z.; Ferreira, María Luján; An explanation for experimental behavior of hybrid metallocene silica-supported catalyst for ethylene polymerization; Elsevier Science; Journal of Molecular Catalysis A: Chemical; 216; 1; 7-2004; 19-271381-1169CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1016/j.molcata.2004.02.006info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S1381116904000913info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T09:34:31Zoai:ri.conicet.gov.ar:11336/97832instacron: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 09:34:31.899CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv An explanation for experimental behavior of hybrid metallocene silica-supported catalyst for ethylene polymerization
title An explanation for experimental behavior of hybrid metallocene silica-supported catalyst for ethylene polymerization
spellingShingle An explanation for experimental behavior of hybrid metallocene silica-supported catalyst for ethylene polymerization
Aguiao Rodrigues, Silvia
SUPPORTED METALLOCENES
THEORETICAL CHARACTERIZATION
ZIRCONOCENE
title_short An explanation for experimental behavior of hybrid metallocene silica-supported catalyst for ethylene polymerization
title_full An explanation for experimental behavior of hybrid metallocene silica-supported catalyst for ethylene polymerization
title_fullStr An explanation for experimental behavior of hybrid metallocene silica-supported catalyst for ethylene polymerization
title_full_unstemmed An explanation for experimental behavior of hybrid metallocene silica-supported catalyst for ethylene polymerization
title_sort An explanation for experimental behavior of hybrid metallocene silica-supported catalyst for ethylene polymerization
dc.creator.none.fl_str_mv Aguiao Rodrigues, Silvia
Silveira, Fernando
dos Santos, J.H.Z.
Ferreira, María Luján
author Aguiao Rodrigues, Silvia
author_facet Aguiao Rodrigues, Silvia
Silveira, Fernando
dos Santos, J.H.Z.
Ferreira, María Luján
author_role author
author2 Silveira, Fernando
dos Santos, J.H.Z.
Ferreira, María Luján
author2_role author
author
author
dc.subject.none.fl_str_mv SUPPORTED METALLOCENES
THEORETICAL CHARACTERIZATION
ZIRCONOCENE
topic SUPPORTED METALLOCENES
THEORETICAL CHARACTERIZATION
ZIRCONOCENE
purl_subject.fl_str_mv https://purl.org/becyt/ford/2.4
https://purl.org/becyt/ford/2
dc.description.none.fl_txt_mv This work presents the results of homopolymerization of ethylene using an hybrid system (nBuCp)2ZrCl2-Cp2ZrCl 2, supported on silica. The catalytic systems were analyzed by RBS, DRIFTS and EXAFS and polyethylenes (PE) by GPC and DSC. The catalytic activities and the polymer properties showed dependence on the different ratio used (nBuCp)2ZrCl2/Cp2ZrCl2 at the preparation step. Theoretical studies permit us to conclude that the metallocenes interact with the surface in different ways. Depending on the addition order and the molar ratio between both metallocenes, distribution and nature of active species would be different. Possibility of binuclear active sites with different propagation and termination constants is analyzed and discussed. EHMO calculations allow us to conclude that Cp2ZrCl 2 has a strong affinity by AIS plane, whereas (nBuCp) 2ZrCl2 shows similar affinity for both silica planes.
Fil: Aguiao Rodrigues, Silvia. Universidade Federal do Rio Grande do Sul; Brasil
Fil: Silveira, Fernando. Universidade Federal do Rio Grande do Sul; Brasil
Fil: dos Santos, J.H.Z.. Universidade Federal do Rio Grande do Sul; Brasil
Fil: Ferreira, María Luján. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Planta Piloto de Ingeniería Química. Universidad Nacional del Sur. Planta Piloto de Ingeniería Química; Argentina
description This work presents the results of homopolymerization of ethylene using an hybrid system (nBuCp)2ZrCl2-Cp2ZrCl 2, supported on silica. The catalytic systems were analyzed by RBS, DRIFTS and EXAFS and polyethylenes (PE) by GPC and DSC. The catalytic activities and the polymer properties showed dependence on the different ratio used (nBuCp)2ZrCl2/Cp2ZrCl2 at the preparation step. Theoretical studies permit us to conclude that the metallocenes interact with the surface in different ways. Depending on the addition order and the molar ratio between both metallocenes, distribution and nature of active species would be different. Possibility of binuclear active sites with different propagation and termination constants is analyzed and discussed. EHMO calculations allow us to conclude that Cp2ZrCl 2 has a strong affinity by AIS plane, whereas (nBuCp) 2ZrCl2 shows similar affinity for both silica planes.
publishDate 2004
dc.date.none.fl_str_mv 2004-07
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/11336/97832
Aguiao Rodrigues, Silvia; Silveira, Fernando; dos Santos, J.H.Z.; Ferreira, María Luján; An explanation for experimental behavior of hybrid metallocene silica-supported catalyst for ethylene polymerization; Elsevier Science; Journal of Molecular Catalysis A: Chemical; 216; 1; 7-2004; 19-27
1381-1169
CONICET Digital
CONICET
url http://hdl.handle.net/11336/97832
identifier_str_mv Aguiao Rodrigues, Silvia; Silveira, Fernando; dos Santos, J.H.Z.; Ferreira, María Luján; An explanation for experimental behavior of hybrid metallocene silica-supported catalyst for ethylene polymerization; Elsevier Science; Journal of Molecular Catalysis A: Chemical; 216; 1; 7-2004; 19-27
1381-1169
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.molcata.2004.02.006
info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S1381116904000913
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/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 13.070432

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