THEORETICAL CALCULATIONS OF STRUCTURES IN THE INITIAL STAGES OF POLYMERIZATION AND BRIDGES DVB POSITIONS IN THE SYNTHESIS OF A CATION EXCHANGE RESIN

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Diverse structures have been studied involved in the initial stages of polymerization and of copolymerization with different positions of the bridges divinilbenceno (DVB) between two styrene polymers chains. The energy of the optimized geometries and vibrational frequencies calculated with methods H...

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Detalles Bibliográficos
Autores: Cjuno H., Jesús A., Pacheco O., Edda G., Cubas C., Roger
Formato: artículo
Fecha de Publicación:2004
Institución:Universidad Nacional Mayor de San Marcos
Repositorio:Revistas - Universidad Nacional Mayor de San Marcos
Lenguaje:español
OAI Identifier:oai:ojs.csi.unmsm:article/4689
Enlace del recurso:https://revistasinvestigacion.unmsm.edu.pe/index.php/quim/article/view/4689
Nivel de acceso:acceso abierto
Materia:Ab initio
polystyrene
copolymer
cation-exchanger
poliestireno
copolímero
intercambiador catiónico
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spelling THEORETICAL CALCULATIONS OF STRUCTURES IN THE INITIAL STAGES OF POLYMERIZATION AND BRIDGES DVB POSITIONS IN THE SYNTHESIS OF A CATION EXCHANGE RESINCÁLCULOS TEÓRICOS DE ESTRUCTURAS EN LAS ETAPAS INICIALES DE POLIMERIZACIÓN Y POSICIONES DE LOS PUENTES DVB EN LA SÍNTESIS DE UNA RESINA DE INTERCAMBIO CATIÓNICOCjuno H., Jesús A.Pacheco O., Edda G.Cubas C., RogerAb initiopolystyrenecopolymercation-exchangerAb initiopoliestirenocopolímerointercambiador catiónicoDiverse structures have been studied involved in the initial stages of polymerization and of copolymerization with different positions of the bridges divinilbenceno (DVB) between two styrene polymers chains. The energy of the optimized geometries and vibrational frequencies calculated with methods HF and PM3 have shown that the conformation sindiotactic present the minimum of energy in relation to their similar isotactic and atactic. In the resin of exchange cationics the structures with minima of energy correspond those with bridges in intermediate positions in front of those of near or far away bridges.Se han estudiado diversas estructuras involucradas en las etapas iniciales de polimerización y de copolimerización con distintas posiciones de los puentes divinilbenceno (DVB) entre dos cadenas poliméricas de estireno. Las energías de las geometrías optimizadas y frecuencias vibracionales calculadas con métodos HF y PM3 han mostrado que las conformaciones sindiotáctica son las que presentan los mínimos de energía en relación a sus similares isotáctica y atáctica. En la resina de intercambio catiónica las estructuras con mínimos de energía corresponden a aquellas con puentes en posiciones intermedias frente a los de puentes cercanos o alejados.Universidad Nacional Mayor de San Marcos2004-09-13info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionapplication/pdfhttps://revistasinvestigacion.unmsm.edu.pe/index.php/quim/article/view/4689Revista Peruana de Química e Ingeniería Química; Vol. 7 No. 1 (2004); 45-50Revista Peruana de Química e Ingeniería Química; Vol. 7 Núm. 1 (2004); 45-501609-75991726-2208reponame:Revistas - Universidad Nacional Mayor de San Marcosinstname:Universidad Nacional Mayor de San Marcosinstacron:UNMSMspahttps://revistasinvestigacion.unmsm.edu.pe/index.php/quim/article/view/4689/3765Derechos de autor 2004 Jesús A. Cjuno H., Edda G. Pacheco O., Roger Cubas C.https://creativecommons.org/licenses/by-nc-sa/4.0info:eu-repo/semantics/openAccessoai:ojs.csi.unmsm:article/46892020-05-10T13:26:56Z
dc.title.none.fl_str_mv THEORETICAL CALCULATIONS OF STRUCTURES IN THE INITIAL STAGES OF POLYMERIZATION AND BRIDGES DVB POSITIONS IN THE SYNTHESIS OF A CATION EXCHANGE RESIN
CÁLCULOS TEÓRICOS DE ESTRUCTURAS EN LAS ETAPAS INICIALES DE POLIMERIZACIÓN Y POSICIONES DE LOS PUENTES DVB EN LA SÍNTESIS DE UNA RESINA DE INTERCAMBIO CATIÓNICO
title THEORETICAL CALCULATIONS OF STRUCTURES IN THE INITIAL STAGES OF POLYMERIZATION AND BRIDGES DVB POSITIONS IN THE SYNTHESIS OF A CATION EXCHANGE RESIN
spellingShingle THEORETICAL CALCULATIONS OF STRUCTURES IN THE INITIAL STAGES OF POLYMERIZATION AND BRIDGES DVB POSITIONS IN THE SYNTHESIS OF A CATION EXCHANGE RESIN
Cjuno H., Jesús A.
Ab initio
polystyrene
copolymer
cation-exchanger
Ab initio
poliestireno
copolímero
intercambiador catiónico
title_short THEORETICAL CALCULATIONS OF STRUCTURES IN THE INITIAL STAGES OF POLYMERIZATION AND BRIDGES DVB POSITIONS IN THE SYNTHESIS OF A CATION EXCHANGE RESIN
title_full THEORETICAL CALCULATIONS OF STRUCTURES IN THE INITIAL STAGES OF POLYMERIZATION AND BRIDGES DVB POSITIONS IN THE SYNTHESIS OF A CATION EXCHANGE RESIN
title_fullStr THEORETICAL CALCULATIONS OF STRUCTURES IN THE INITIAL STAGES OF POLYMERIZATION AND BRIDGES DVB POSITIONS IN THE SYNTHESIS OF A CATION EXCHANGE RESIN
title_full_unstemmed THEORETICAL CALCULATIONS OF STRUCTURES IN THE INITIAL STAGES OF POLYMERIZATION AND BRIDGES DVB POSITIONS IN THE SYNTHESIS OF A CATION EXCHANGE RESIN
title_sort THEORETICAL CALCULATIONS OF STRUCTURES IN THE INITIAL STAGES OF POLYMERIZATION AND BRIDGES DVB POSITIONS IN THE SYNTHESIS OF A CATION EXCHANGE RESIN
dc.creator.none.fl_str_mv Cjuno H., Jesús A.
Pacheco O., Edda G.
Cubas C., Roger
author Cjuno H., Jesús A.
author_facet Cjuno H., Jesús A.
Pacheco O., Edda G.
Cubas C., Roger
author_role author
author2 Pacheco O., Edda G.
Cubas C., Roger
author2_role author
author
dc.subject.none.fl_str_mv Ab initio
polystyrene
copolymer
cation-exchanger
Ab initio
poliestireno
copolímero
intercambiador catiónico
topic Ab initio
polystyrene
copolymer
cation-exchanger
Ab initio
poliestireno
copolímero
intercambiador catiónico
description Diverse structures have been studied involved in the initial stages of polymerization and of copolymerization with different positions of the bridges divinilbenceno (DVB) between two styrene polymers chains. The energy of the optimized geometries and vibrational frequencies calculated with methods HF and PM3 have shown that the conformation sindiotactic present the minimum of energy in relation to their similar isotactic and atactic. In the resin of exchange cationics the structures with minima of energy correspond those with bridges in intermediate positions in front of those of near or far away bridges.
publishDate 2004
dc.date.none.fl_str_mv 2004-09-13
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv https://revistasinvestigacion.unmsm.edu.pe/index.php/quim/article/view/4689
url https://revistasinvestigacion.unmsm.edu.pe/index.php/quim/article/view/4689
dc.language.none.fl_str_mv spa
language spa
dc.relation.none.fl_str_mv https://revistasinvestigacion.unmsm.edu.pe/index.php/quim/article/view/4689/3765
dc.rights.none.fl_str_mv Derechos de autor 2004 Jesús A. Cjuno H., Edda G. Pacheco O., Roger Cubas C.
https://creativecommons.org/licenses/by-nc-sa/4.0
info:eu-repo/semantics/openAccess
rights_invalid_str_mv Derechos de autor 2004 Jesús A. Cjuno H., Edda G. Pacheco O., Roger Cubas C.
https://creativecommons.org/licenses/by-nc-sa/4.0
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Universidad Nacional Mayor de San Marcos
publisher.none.fl_str_mv Universidad Nacional Mayor de San Marcos
dc.source.none.fl_str_mv Revista Peruana de Química e Ingeniería Química; Vol. 7 No. 1 (2004); 45-50
Revista Peruana de Química e Ingeniería Química; Vol. 7 Núm. 1 (2004); 45-50
1609-7599
1726-2208
reponame:Revistas - Universidad Nacional Mayor de San Marcos
instname:Universidad Nacional Mayor de San Marcos
instacron:UNMSM
instname_str Universidad Nacional Mayor de San Marcos
instacron_str UNMSM
institution UNMSM
reponame_str Revistas - Universidad Nacional Mayor de San Marcos
collection Revistas - Universidad Nacional Mayor de San Marcos
repository.name.fl_str_mv
repository.mail.fl_str_mv
_version_ 1795238292019478528
score 13.919782
THEORETICAL CALCULATIONS OF STRUCTURES IN THE INITIAL STAGES OF POLYMERIZATION AND BRIDGES DVB POSITIONS IN THE SYNTHESIS OF A CATION EXCHANGE RESIN
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