Some limitations of the Fraser-Suzuki function for fitting thermokinetic curves

Autores
Resentera Beiza, Alexander Cristian Jesús; Rodriguez, Mario Humberto
Año de publicación
2023
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Mathematical deconvolution (MD) can offer a simple way to solve independent multistep kinetics. However, there are always doubts about the cases in which it loses efficiency.This work analyzes the adjustability of the Fraser-Suzuki function (FSF) for processes with F0, D1, and Pn models. Curves da/dt vs t for were simulated and fitted using the FSF for each case. Their kinetic parameters were determined and compared with the real ones. Furthermore, an example of deconvolution was analyzed. The results show that the FSF fit does not lead to satisfactory results when applied to da/dt vs t curves that show sharp peaks and sudden decays.This work is not intended to discourage MD use since it has led to correct parameters in many investigations. However, the aim is to show examples of limitations so that the analyst can choose other appropriate approaches. Therefore, MD should always be used with caution and judgment.
Fil: Resentera Beiza, Alexander Cristian Jesús. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza. Instituto Interdisciplinario de Ciencias Básicas. - Universidad Nacional de Cuyo. Instituto Interdisciplinario de Ciencias Básicas; Argentina
Fil: Rodriguez, Mario Humberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza. Instituto Interdisciplinario de Ciencias Básicas. - Universidad Nacional de Cuyo. Instituto Interdisciplinario de Ciencias Básicas; Argentina
Materia
Cinética
Materiales complejos
Deconvolución
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:11336/230473
Acceder
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network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Some limitations of the Fraser-Suzuki function for fitting thermokinetic curvesResentera Beiza, Alexander Cristian JesúsRodriguez, Mario HumbertoCinéticaMateriales complejosDeconvoluciónhttps://purl.org/becyt/ford/2.5https://purl.org/becyt/ford/2Mathematical deconvolution (MD) can offer a simple way to solve independent multistep kinetics. However, there are always doubts about the cases in which it loses efficiency.This work analyzes the adjustability of the Fraser-Suzuki function (FSF) for processes with F0, D1, and Pn models. Curves da/dt vs t for were simulated and fitted using the FSF for each case. Their kinetic parameters were determined and compared with the real ones. Furthermore, an example of deconvolution was analyzed. The results show that the FSF fit does not lead to satisfactory results when applied to da/dt vs t curves that show sharp peaks and sudden decays.This work is not intended to discourage MD use since it has led to correct parameters in many investigations. However, the aim is to show examples of limitations so that the analyst can choose other appropriate approaches. Therefore, MD should always be used with caution and judgment.Fil: Resentera Beiza, Alexander Cristian Jesús. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza. Instituto Interdisciplinario de Ciencias Básicas. - Universidad Nacional de Cuyo. Instituto Interdisciplinario de Ciencias Básicas; ArgentinaFil: Rodriguez, Mario Humberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza. Instituto Interdisciplinario de Ciencias Básicas. - Universidad Nacional de Cuyo. Instituto Interdisciplinario de Ciencias Básicas; ArgentinaElsevier Science2023-05info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/230473Resentera Beiza, Alexander Cristian Jesús; Rodriguez, Mario Humberto; Some limitations of the Fraser-Suzuki function for fitting thermokinetic curves; Elsevier Science; Thermochimica Acta; 725; 5-2023; 1-320040-6031CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://linkinghub.elsevier.com/retrieve/pii/S0040603123000898info:eu-repo/semantics/altIdentifier/doi/10.1016/j.tca.2023.179520info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-15T15:45:47Zoai:ri.conicet.gov.ar:11336/230473instacron: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:34982025-10-15 15:45:47.827CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Some limitations of the Fraser-Suzuki function for fitting thermokinetic curves
title Some limitations of the Fraser-Suzuki function for fitting thermokinetic curves
spellingShingle Some limitations of the Fraser-Suzuki function for fitting thermokinetic curves
Resentera Beiza, Alexander Cristian Jesús
Cinética
Materiales complejos
Deconvolución
title_short Some limitations of the Fraser-Suzuki function for fitting thermokinetic curves
title_full Some limitations of the Fraser-Suzuki function for fitting thermokinetic curves
title_fullStr Some limitations of the Fraser-Suzuki function for fitting thermokinetic curves
title_full_unstemmed Some limitations of the Fraser-Suzuki function for fitting thermokinetic curves
title_sort Some limitations of the Fraser-Suzuki function for fitting thermokinetic curves
dc.creator.none.fl_str_mv Resentera Beiza, Alexander Cristian Jesús
Rodriguez, Mario Humberto
author Resentera Beiza, Alexander Cristian Jesús
author_facet Resentera Beiza, Alexander Cristian Jesús
Rodriguez, Mario Humberto
author_role author
author2 Rodriguez, Mario Humberto
author2_role author
dc.subject.none.fl_str_mv Cinética
Materiales complejos
Deconvolución
topic Cinética
Materiales complejos
Deconvolución
purl_subject.fl_str_mv https://purl.org/becyt/ford/2.5
https://purl.org/becyt/ford/2
dc.description.none.fl_txt_mv Mathematical deconvolution (MD) can offer a simple way to solve independent multistep kinetics. However, there are always doubts about the cases in which it loses efficiency.This work analyzes the adjustability of the Fraser-Suzuki function (FSF) for processes with F0, D1, and Pn models. Curves da/dt vs t for were simulated and fitted using the FSF for each case. Their kinetic parameters were determined and compared with the real ones. Furthermore, an example of deconvolution was analyzed. The results show that the FSF fit does not lead to satisfactory results when applied to da/dt vs t curves that show sharp peaks and sudden decays.This work is not intended to discourage MD use since it has led to correct parameters in many investigations. However, the aim is to show examples of limitations so that the analyst can choose other appropriate approaches. Therefore, MD should always be used with caution and judgment.
Fil: Resentera Beiza, Alexander Cristian Jesús. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza. Instituto Interdisciplinario de Ciencias Básicas. - Universidad Nacional de Cuyo. Instituto Interdisciplinario de Ciencias Básicas; Argentina
Fil: Rodriguez, Mario Humberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza. Instituto Interdisciplinario de Ciencias Básicas. - Universidad Nacional de Cuyo. Instituto Interdisciplinario de Ciencias Básicas; Argentina
description Mathematical deconvolution (MD) can offer a simple way to solve independent multistep kinetics. However, there are always doubts about the cases in which it loses efficiency.This work analyzes the adjustability of the Fraser-Suzuki function (FSF) for processes with F0, D1, and Pn models. Curves da/dt vs t for were simulated and fitted using the FSF for each case. Their kinetic parameters were determined and compared with the real ones. Furthermore, an example of deconvolution was analyzed. The results show that the FSF fit does not lead to satisfactory results when applied to da/dt vs t curves that show sharp peaks and sudden decays.This work is not intended to discourage MD use since it has led to correct parameters in many investigations. However, the aim is to show examples of limitations so that the analyst can choose other appropriate approaches. Therefore, MD should always be used with caution and judgment.
publishDate 2023
dc.date.none.fl_str_mv 2023-05
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/11336/230473
Resentera Beiza, Alexander Cristian Jesús; Rodriguez, Mario Humberto; Some limitations of the Fraser-Suzuki function for fitting thermokinetic curves; Elsevier Science; Thermochimica Acta; 725; 5-2023; 1-32
0040-6031
CONICET Digital
CONICET
url http://hdl.handle.net/11336/230473
identifier_str_mv Resentera Beiza, Alexander Cristian Jesús; Rodriguez, Mario Humberto; Some limitations of the Fraser-Suzuki function for fitting thermokinetic curves; Elsevier Science; Thermochimica Acta; 725; 5-2023; 1-32
0040-6031
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://linkinghub.elsevier.com/retrieve/pii/S0040603123000898
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.tca.2023.179520
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
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
_version_ 1846083556858658816
score 13.221938

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