SEC of Simple Polymers with Molar Mass Detection in the Presence of Instrumental Broadening. Computer Simulation Study on the Recuperation of Unbiased Molecular Weight Distribution...

Autores
Vega, Jorge Ruben; Meira, Gregorio Raul
Año de publicación
2001
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
This theoretical work presents a correction procedure for calculating an unbiased MWD when analyzing a linear homopolymer by size exclusion chromatography with molar mass detection. The fractionation and the measurements are ideal, but the chromatograms are distorted by a nonuniform and skewed instrumental broadening (IB), and are contaminated with a zero-mean random noise. The main assumption is that the molecular weight calibration is linear in the chromatogram range. The following phenomenological procedure was proposed: (i) independently correct the mass- and molar mass chromatograms for IB through a robust inverse filtering technique; (ii) estimate the unbiased calibration from the ratio of the corrected chromatograms; (iii) adjust a straight line to the mid-values of that cal-ibration; and (iv) estimate the unbiased MWD from the linear calibration and the corrected mass chromatogram. For the chromatogram inversions, a minimum sized broadening matrix was selected and a singular value decomposition technique was applied. The following effects were evaluated: of an increased measurement noise, of uncertainties in the range of the measured chromatograms, and of systematic errors in the IB function. The method fails for very narrow MWDs.
Fil: Vega, Jorge Ruben. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; Argentina
Fil: Meira, Gregorio Raul. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; Argentina
Materia
Size Exclusion Chromatography
Band Broadening
Polymer Characterization
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:11336/30059
Acceder
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network_name_str CONICET Digital (CONICET)
spelling SEC of Simple Polymers with Molar Mass Detection in the Presence of Instrumental Broadening. Computer Simulation Study on the Recuperation of Unbiased Molecular Weight DistributionsVega, Jorge RubenMeira, Gregorio RaulSize Exclusion ChromatographyBand BroadeningPolymer Characterizationhttps://purl.org/becyt/ford/2.4https://purl.org/becyt/ford/2This theoretical work presents a correction procedure for calculating an unbiased MWD when analyzing a linear homopolymer by size exclusion chromatography with molar mass detection. The fractionation and the measurements are ideal, but the chromatograms are distorted by a nonuniform and skewed instrumental broadening (IB), and are contaminated with a zero-mean random noise. The main assumption is that the molecular weight calibration is linear in the chromatogram range. The following phenomenological procedure was proposed: (i) independently correct the mass- and molar mass chromatograms for IB through a robust inverse filtering technique; (ii) estimate the unbiased calibration from the ratio of the corrected chromatograms; (iii) adjust a straight line to the mid-values of that cal-ibration; and (iv) estimate the unbiased MWD from the linear calibration and the corrected mass chromatogram. For the chromatogram inversions, a minimum sized broadening matrix was selected and a singular value decomposition technique was applied. The following effects were evaluated: of an increased measurement noise, of uncertainties in the range of the measured chromatograms, and of systematic errors in the IB function. The method fails for very narrow MWDs.Fil: Vega, Jorge Ruben. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; ArgentinaFil: Meira, Gregorio Raul. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; ArgentinaTaylor2001-12info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/30059Vega, Jorge Ruben; Meira, Gregorio Raul; SEC of Simple Polymers with Molar Mass Detection in the Presence of Instrumental Broadening. Computer Simulation Study on the Recuperation of Unbiased Molecular Weight Distributions; Taylor; Journal of Liquid Chromatography and Related Technologies; 24; 12-2001; 901-9191082-6076CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1081/JLC-100103418info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-10T13:16:43Zoai:ri.conicet.gov.ar:11336/30059instacron: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:34982025-09-10 13:16:43.736CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv SEC of Simple Polymers with Molar Mass Detection in the Presence of Instrumental Broadening. Computer Simulation Study on the Recuperation of Unbiased Molecular Weight Distributions
title SEC of Simple Polymers with Molar Mass Detection in the Presence of Instrumental Broadening. Computer Simulation Study on the Recuperation of Unbiased Molecular Weight Distributions
spellingShingle SEC of Simple Polymers with Molar Mass Detection in the Presence of Instrumental Broadening. Computer Simulation Study on the Recuperation of Unbiased Molecular Weight Distributions
Vega, Jorge Ruben
Size Exclusion Chromatography
Band Broadening
Polymer Characterization
title_short SEC of Simple Polymers with Molar Mass Detection in the Presence of Instrumental Broadening. Computer Simulation Study on the Recuperation of Unbiased Molecular Weight Distributions
title_full SEC of Simple Polymers with Molar Mass Detection in the Presence of Instrumental Broadening. Computer Simulation Study on the Recuperation of Unbiased Molecular Weight Distributions
title_fullStr SEC of Simple Polymers with Molar Mass Detection in the Presence of Instrumental Broadening. Computer Simulation Study on the Recuperation of Unbiased Molecular Weight Distributions
title_full_unstemmed SEC of Simple Polymers with Molar Mass Detection in the Presence of Instrumental Broadening. Computer Simulation Study on the Recuperation of Unbiased Molecular Weight Distributions
title_sort SEC of Simple Polymers with Molar Mass Detection in the Presence of Instrumental Broadening. Computer Simulation Study on the Recuperation of Unbiased Molecular Weight Distributions
dc.creator.none.fl_str_mv Vega, Jorge Ruben
Meira, Gregorio Raul
author Vega, Jorge Ruben
author_facet Vega, Jorge Ruben
Meira, Gregorio Raul
author_role author
author2 Meira, Gregorio Raul
author2_role author
dc.subject.none.fl_str_mv Size Exclusion Chromatography
Band Broadening
Polymer Characterization
topic Size Exclusion Chromatography
Band Broadening
Polymer Characterization
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 theoretical work presents a correction procedure for calculating an unbiased MWD when analyzing a linear homopolymer by size exclusion chromatography with molar mass detection. The fractionation and the measurements are ideal, but the chromatograms are distorted by a nonuniform and skewed instrumental broadening (IB), and are contaminated with a zero-mean random noise. The main assumption is that the molecular weight calibration is linear in the chromatogram range. The following phenomenological procedure was proposed: (i) independently correct the mass- and molar mass chromatograms for IB through a robust inverse filtering technique; (ii) estimate the unbiased calibration from the ratio of the corrected chromatograms; (iii) adjust a straight line to the mid-values of that cal-ibration; and (iv) estimate the unbiased MWD from the linear calibration and the corrected mass chromatogram. For the chromatogram inversions, a minimum sized broadening matrix was selected and a singular value decomposition technique was applied. The following effects were evaluated: of an increased measurement noise, of uncertainties in the range of the measured chromatograms, and of systematic errors in the IB function. The method fails for very narrow MWDs.
Fil: Vega, Jorge Ruben. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; Argentina
Fil: Meira, Gregorio Raul. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; Argentina
description This theoretical work presents a correction procedure for calculating an unbiased MWD when analyzing a linear homopolymer by size exclusion chromatography with molar mass detection. The fractionation and the measurements are ideal, but the chromatograms are distorted by a nonuniform and skewed instrumental broadening (IB), and are contaminated with a zero-mean random noise. The main assumption is that the molecular weight calibration is linear in the chromatogram range. The following phenomenological procedure was proposed: (i) independently correct the mass- and molar mass chromatograms for IB through a robust inverse filtering technique; (ii) estimate the unbiased calibration from the ratio of the corrected chromatograms; (iii) adjust a straight line to the mid-values of that cal-ibration; and (iv) estimate the unbiased MWD from the linear calibration and the corrected mass chromatogram. For the chromatogram inversions, a minimum sized broadening matrix was selected and a singular value decomposition technique was applied. The following effects were evaluated: of an increased measurement noise, of uncertainties in the range of the measured chromatograms, and of systematic errors in the IB function. The method fails for very narrow MWDs.
publishDate 2001
dc.date.none.fl_str_mv 2001-12
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/11336/30059
Vega, Jorge Ruben; Meira, Gregorio Raul; SEC of Simple Polymers with Molar Mass Detection in the Presence of Instrumental Broadening. Computer Simulation Study on the Recuperation of Unbiased Molecular Weight Distributions; Taylor; Journal of Liquid Chromatography and Related Technologies; 24; 12-2001; 901-919
1082-6076
CONICET Digital
CONICET
url http://hdl.handle.net/11336/30059
identifier_str_mv Vega, Jorge Ruben; Meira, Gregorio Raul; SEC of Simple Polymers with Molar Mass Detection in the Presence of Instrumental Broadening. Computer Simulation Study on the Recuperation of Unbiased Molecular Weight Distributions; Taylor; Journal of Liquid Chromatography and Related Technologies; 24; 12-2001; 901-919
1082-6076
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1081/JLC-100103418
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 Taylor
publisher.none.fl_str_mv Taylor
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 12.993085

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