Use of Fourier Series in X-ray Diffraction (XRD) Analysis and Fourier-Transform Infrared Spectroscopy (FTIR) for Estimation of Crystallinity in Cellulose from Different Sources

Autores
Montoya Escobar, Nicolás; Ospina Acero, Daniel; Velásquez Cock, Jorge Andrés; Gómez Hoyos, Catalina; Serpa Guerra, Angélica; Gañan Rojo, Piedad Felisinda; Vélez Acosta, Lina Maria; Escobar, Juan Pablo; Correa Hincapié, Natalia; Triana Chávez, Omar; Zuluaga Gallego, Robin; Stefani, Pablo Marcelo
Año de publicación
2022
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Cellulose crystallinity can be described according to the crystal size and the crystallinity index (CI). In this research, using Fourier-transform infrared spectroscopy (FTIR) and X-ray diffraction (XRD) methods, we studied the crystallinity of three different types of cellulose: banana rachis (BR), commercial cellulose (CS), and bacterial cellulose (BC). For each type of cellulose, we analyzed three different crystallization grades. These variations were obtained using three milling conditions: 6.5 h, 10 min, and unmilled (films). We developed a code in MATLAB software to perform deconvolution of the XRD data to estimate CI and full width at half-maximum (FWHM). For deconvolution, crystalline peaks were represented with Voigt functions, and a Fourier series fitted to the amorphous profile was used as the amorphous contribution, which allowed the contribution of the amorphous profile to be more effectively modeled. Comparisons based on the FTIR spectra and XRD results showed there were no compositional differences between the amorphous samples. However, changes associated with crystallinity were observed when the milling time was 10 min. The obtained CI (%) values show agreement with values reported in the literature and confirm the effectiveness of the method used in this work in predicting the crystallization aspects of cellulose samples.
Fil: Montoya Escobar, Nicolás. Universidad Pontificia Bolivariana; Colombia
Fil: Ospina Acero, Daniel. Ohio State University; Estados Unidos
Fil: Velásquez Cock, Jorge Andrés. Universidad Pontificia Bolivariana; Colombia
Fil: Gómez Hoyos, Catalina. Universidad Pontificia Bolivariana; Colombia. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Serpa Guerra, Angélica. Universidad Pontificia Bolivariana; Colombia
Fil: Gañan Rojo, Piedad Felisinda. Universidad Pontificia Bolivariana; Colombia
Fil: Vélez Acosta, Lina Maria. Universidad Pontificia Bolivariana; Colombia
Fil: Escobar, Juan Pablo. Universidad Pontificia Bolivariana; Colombia
Fil: Correa Hincapié, Natalia. Instituto Tecnológico Metropolitano; Colombia
Fil: Triana Chávez, Omar. Universidad de Antioquia; Colombia
Fil: Zuluaga Gallego, Robin. Universidad Pontificia Bolivariana; Colombia
Fil: Stefani, Pablo Marcelo. Universidad Nacional de Mar del Plata; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones en Ciencia y Tecnología de Materiales. Universidad Nacional de Mar del Plata. Facultad de Ingeniería. Instituto de Investigaciones en Ciencia y Tecnología de Materiales; Argentina
Materia
CELLULOSE
CRYSTALLINITY
CRYSTALLINITY INDEX
FOURIER SERIES
INFRARED SPECTROSCOPY
PEAK DECONVOLUTION
X-RAY DIFFRACTION
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/212302
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/212302
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Use of Fourier Series in X-ray Diffraction (XRD) Analysis and Fourier-Transform Infrared Spectroscopy (FTIR) for Estimation of Crystallinity in Cellulose from Different SourcesMontoya Escobar, NicolásOspina Acero, DanielVelásquez Cock, Jorge AndrésGómez Hoyos, CatalinaSerpa Guerra, AngélicaGañan Rojo, Piedad FelisindaVélez Acosta, Lina MariaEscobar, Juan PabloCorrea Hincapié, NataliaTriana Chávez, OmarZuluaga Gallego, RobinStefani, Pablo MarceloCELLULOSECRYSTALLINITYCRYSTALLINITY INDEXFOURIER SERIESINFRARED SPECTROSCOPYPEAK DECONVOLUTIONX-RAY DIFFRACTIONhttps://purl.org/becyt/ford/2.5https://purl.org/becyt/ford/2Cellulose crystallinity can be described according to the crystal size and the crystallinity index (CI). In this research, using Fourier-transform infrared spectroscopy (FTIR) and X-ray diffraction (XRD) methods, we studied the crystallinity of three different types of cellulose: banana rachis (BR), commercial cellulose (CS), and bacterial cellulose (BC). For each type of cellulose, we analyzed three different crystallization grades. These variations were obtained using three milling conditions: 6.5 h, 10 min, and unmilled (films). We developed a code in MATLAB software to perform deconvolution of the XRD data to estimate CI and full width at half-maximum (FWHM). For deconvolution, crystalline peaks were represented with Voigt functions, and a Fourier series fitted to the amorphous profile was used as the amorphous contribution, which allowed the contribution of the amorphous profile to be more effectively modeled. Comparisons based on the FTIR spectra and XRD results showed there were no compositional differences between the amorphous samples. However, changes associated with crystallinity were observed when the milling time was 10 min. The obtained CI (%) values show agreement with values reported in the literature and confirm the effectiveness of the method used in this work in predicting the crystallization aspects of cellulose samples.Fil: Montoya Escobar, Nicolás. Universidad Pontificia Bolivariana; ColombiaFil: Ospina Acero, Daniel. Ohio State University; Estados UnidosFil: Velásquez Cock, Jorge Andrés. Universidad Pontificia Bolivariana; ColombiaFil: Gómez Hoyos, Catalina. Universidad Pontificia Bolivariana; Colombia. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Serpa Guerra, Angélica. Universidad Pontificia Bolivariana; ColombiaFil: Gañan Rojo, Piedad Felisinda. Universidad Pontificia Bolivariana; ColombiaFil: Vélez Acosta, Lina Maria. Universidad Pontificia Bolivariana; ColombiaFil: Escobar, Juan Pablo. Universidad Pontificia Bolivariana; ColombiaFil: Correa Hincapié, Natalia. Instituto Tecnológico Metropolitano; ColombiaFil: Triana Chávez, Omar. Universidad de Antioquia; ColombiaFil: Zuluaga Gallego, Robin. Universidad Pontificia Bolivariana; ColombiaFil: Stefani, Pablo Marcelo. Universidad Nacional de Mar del Plata; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones en Ciencia y Tecnología de Materiales. Universidad Nacional de Mar del Plata. Facultad de Ingeniería. Instituto de Investigaciones en Ciencia y Tecnología de Materiales; ArgentinaMultidisciplinary Digital Publishing Institute2022-12info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/212302Montoya Escobar, Nicolás; Ospina Acero, Daniel; Velásquez Cock, Jorge Andrés; Gómez Hoyos, Catalina; Serpa Guerra, Angélica; et al.; Use of Fourier Series in X-ray Diffraction (XRD) Analysis and Fourier-Transform Infrared Spectroscopy (FTIR) for Estimation of Crystallinity in Cellulose from Different Sources; Multidisciplinary Digital Publishing Institute; Polymers; 14; 23; 12-2022; 1-162073-4360CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.3390/polym14235199info:eu-repo/semantics/altIdentifier/url/https://www.mdpi.com/2073-4360/14/23/5199info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:46:55Zoai:ri.conicet.gov.ar:11336/212302instacron: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 10:46:56.221CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Use of Fourier Series in X-ray Diffraction (XRD) Analysis and Fourier-Transform Infrared Spectroscopy (FTIR) for Estimation of Crystallinity in Cellulose from Different Sources
title Use of Fourier Series in X-ray Diffraction (XRD) Analysis and Fourier-Transform Infrared Spectroscopy (FTIR) for Estimation of Crystallinity in Cellulose from Different Sources
spellingShingle Use of Fourier Series in X-ray Diffraction (XRD) Analysis and Fourier-Transform Infrared Spectroscopy (FTIR) for Estimation of Crystallinity in Cellulose from Different Sources
Montoya Escobar, Nicolás
CELLULOSE
CRYSTALLINITY
CRYSTALLINITY INDEX
FOURIER SERIES
INFRARED SPECTROSCOPY
PEAK DECONVOLUTION
X-RAY DIFFRACTION
title_short Use of Fourier Series in X-ray Diffraction (XRD) Analysis and Fourier-Transform Infrared Spectroscopy (FTIR) for Estimation of Crystallinity in Cellulose from Different Sources
title_full Use of Fourier Series in X-ray Diffraction (XRD) Analysis and Fourier-Transform Infrared Spectroscopy (FTIR) for Estimation of Crystallinity in Cellulose from Different Sources
title_fullStr Use of Fourier Series in X-ray Diffraction (XRD) Analysis and Fourier-Transform Infrared Spectroscopy (FTIR) for Estimation of Crystallinity in Cellulose from Different Sources
title_full_unstemmed Use of Fourier Series in X-ray Diffraction (XRD) Analysis and Fourier-Transform Infrared Spectroscopy (FTIR) for Estimation of Crystallinity in Cellulose from Different Sources
title_sort Use of Fourier Series in X-ray Diffraction (XRD) Analysis and Fourier-Transform Infrared Spectroscopy (FTIR) for Estimation of Crystallinity in Cellulose from Different Sources
dc.creator.none.fl_str_mv Montoya Escobar, Nicolás
Ospina Acero, Daniel
Velásquez Cock, Jorge Andrés
Gómez Hoyos, Catalina
Serpa Guerra, Angélica
Gañan Rojo, Piedad Felisinda
Vélez Acosta, Lina Maria
Escobar, Juan Pablo
Correa Hincapié, Natalia
Triana Chávez, Omar
Zuluaga Gallego, Robin
Stefani, Pablo Marcelo
author Montoya Escobar, Nicolás
author_facet Montoya Escobar, Nicolás
Ospina Acero, Daniel
Velásquez Cock, Jorge Andrés
Gómez Hoyos, Catalina
Serpa Guerra, Angélica
Gañan Rojo, Piedad Felisinda
Vélez Acosta, Lina Maria
Escobar, Juan Pablo
Correa Hincapié, Natalia
Triana Chávez, Omar
Zuluaga Gallego, Robin
Stefani, Pablo Marcelo
author_role author
author2 Ospina Acero, Daniel
Velásquez Cock, Jorge Andrés
Gómez Hoyos, Catalina
Serpa Guerra, Angélica
Gañan Rojo, Piedad Felisinda
Vélez Acosta, Lina Maria
Escobar, Juan Pablo
Correa Hincapié, Natalia
Triana Chávez, Omar
Zuluaga Gallego, Robin
Stefani, Pablo Marcelo
author2_role author
author
author
author
author
author
author
author
author
author
author
dc.subject.none.fl_str_mv CELLULOSE
CRYSTALLINITY
CRYSTALLINITY INDEX
FOURIER SERIES
INFRARED SPECTROSCOPY
PEAK DECONVOLUTION
X-RAY DIFFRACTION
topic CELLULOSE
CRYSTALLINITY
CRYSTALLINITY INDEX
FOURIER SERIES
INFRARED SPECTROSCOPY
PEAK DECONVOLUTION
X-RAY DIFFRACTION
purl_subject.fl_str_mv https://purl.org/becyt/ford/2.5
https://purl.org/becyt/ford/2
dc.description.none.fl_txt_mv Cellulose crystallinity can be described according to the crystal size and the crystallinity index (CI). In this research, using Fourier-transform infrared spectroscopy (FTIR) and X-ray diffraction (XRD) methods, we studied the crystallinity of three different types of cellulose: banana rachis (BR), commercial cellulose (CS), and bacterial cellulose (BC). For each type of cellulose, we analyzed three different crystallization grades. These variations were obtained using three milling conditions: 6.5 h, 10 min, and unmilled (films). We developed a code in MATLAB software to perform deconvolution of the XRD data to estimate CI and full width at half-maximum (FWHM). For deconvolution, crystalline peaks were represented with Voigt functions, and a Fourier series fitted to the amorphous profile was used as the amorphous contribution, which allowed the contribution of the amorphous profile to be more effectively modeled. Comparisons based on the FTIR spectra and XRD results showed there were no compositional differences between the amorphous samples. However, changes associated with crystallinity were observed when the milling time was 10 min. The obtained CI (%) values show agreement with values reported in the literature and confirm the effectiveness of the method used in this work in predicting the crystallization aspects of cellulose samples.
Fil: Montoya Escobar, Nicolás. Universidad Pontificia Bolivariana; Colombia
Fil: Ospina Acero, Daniel. Ohio State University; Estados Unidos
Fil: Velásquez Cock, Jorge Andrés. Universidad Pontificia Bolivariana; Colombia
Fil: Gómez Hoyos, Catalina. Universidad Pontificia Bolivariana; Colombia. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Serpa Guerra, Angélica. Universidad Pontificia Bolivariana; Colombia
Fil: Gañan Rojo, Piedad Felisinda. Universidad Pontificia Bolivariana; Colombia
Fil: Vélez Acosta, Lina Maria. Universidad Pontificia Bolivariana; Colombia
Fil: Escobar, Juan Pablo. Universidad Pontificia Bolivariana; Colombia
Fil: Correa Hincapié, Natalia. Instituto Tecnológico Metropolitano; Colombia
Fil: Triana Chávez, Omar. Universidad de Antioquia; Colombia
Fil: Zuluaga Gallego, Robin. Universidad Pontificia Bolivariana; Colombia
Fil: Stefani, Pablo Marcelo. Universidad Nacional de Mar del Plata; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mar del Plata. Instituto de Investigaciones en Ciencia y Tecnología de Materiales. Universidad Nacional de Mar del Plata. Facultad de Ingeniería. Instituto de Investigaciones en Ciencia y Tecnología de Materiales; Argentina
description Cellulose crystallinity can be described according to the crystal size and the crystallinity index (CI). In this research, using Fourier-transform infrared spectroscopy (FTIR) and X-ray diffraction (XRD) methods, we studied the crystallinity of three different types of cellulose: banana rachis (BR), commercial cellulose (CS), and bacterial cellulose (BC). For each type of cellulose, we analyzed three different crystallization grades. These variations were obtained using three milling conditions: 6.5 h, 10 min, and unmilled (films). We developed a code in MATLAB software to perform deconvolution of the XRD data to estimate CI and full width at half-maximum (FWHM). For deconvolution, crystalline peaks were represented with Voigt functions, and a Fourier series fitted to the amorphous profile was used as the amorphous contribution, which allowed the contribution of the amorphous profile to be more effectively modeled. Comparisons based on the FTIR spectra and XRD results showed there were no compositional differences between the amorphous samples. However, changes associated with crystallinity were observed when the milling time was 10 min. The obtained CI (%) values show agreement with values reported in the literature and confirm the effectiveness of the method used in this work in predicting the crystallization aspects of cellulose samples.
publishDate 2022
dc.date.none.fl_str_mv 2022-12
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/11336/212302
Montoya Escobar, Nicolás; Ospina Acero, Daniel; Velásquez Cock, Jorge Andrés; Gómez Hoyos, Catalina; Serpa Guerra, Angélica; et al.; Use of Fourier Series in X-ray Diffraction (XRD) Analysis and Fourier-Transform Infrared Spectroscopy (FTIR) for Estimation of Crystallinity in Cellulose from Different Sources; Multidisciplinary Digital Publishing Institute; Polymers; 14; 23; 12-2022; 1-16
2073-4360
CONICET Digital
CONICET
url http://hdl.handle.net/11336/212302
identifier_str_mv Montoya Escobar, Nicolás; Ospina Acero, Daniel; Velásquez Cock, Jorge Andrés; Gómez Hoyos, Catalina; Serpa Guerra, Angélica; et al.; Use of Fourier Series in X-ray Diffraction (XRD) Analysis and Fourier-Transform Infrared Spectroscopy (FTIR) for Estimation of Crystallinity in Cellulose from Different Sources; Multidisciplinary Digital Publishing Institute; Polymers; 14; 23; 12-2022; 1-16
2073-4360
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.3390/polym14235199
info:eu-repo/semantics/altIdentifier/url/https://www.mdpi.com/2073-4360/14/23/5199
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Multidisciplinary Digital Publishing Institute
publisher.none.fl_str_mv Multidisciplinary Digital Publishing Institute
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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