Cement classification and characterization using Non-Invasive techniques

Bibliographic Details
Main Author: Romero, Esteban
Publication Date: 2025
Other Authors: Ferreira, Dennis S., Pereira, Fabiola M.V. [UNESP], Olivieri, Alejandro C., Pereira-Filho, Edenir R., Arancibia, Juan A.
Format: Article
Language: eng
Source: Repositório Institucional da UNESP
Download full: http://dx.doi.org/10.1016/j.talanta.2024.127212
https://hdl.handle.net/11449/302582
Summary: Cement is one of the most widely used materials in the global construction industry, serving as an adhesive and binder in projects that require strength and durability. Additionally, cement production indicates a country's development and economic activity, with global production reaching approximately 4 billion tons annually. It is a fine powder composed mainly of lime, silica, iron oxide, and alumina. Portland cement is the most common type, although a wide variety of types of cement differ in their chemical composition, providing them with specific properties for different applications. A set of fifty samples, consisting of eleven primary samples and thirty-nine blends formed by the combination of these eleven samples, was prepared. Additionally, twenty-four samples were randomly selected for error covariance calculation. Subsequently, two analytical techniques, laser-induced breakdown spectroscopy (LIBS) and energy dispersive X-ray fluorescence (ED-XRF) were applied to quantify aluminum (Al), calcium (Ca), iron (Fe), potassium (K), magnesium (Mg), sodium (Na), and sulfur (S). Afterward, the samples were analyzed via ICP OES after acid mineralization with 8 mL aqua regia in a digester block. Multivariate calibration strategies such as principal component regression (PCR), maximum likelihood principal component regression (MLPCR), partial least-squares regression (PLS), and error covariance penalized regression (ECPR) were employed. Finally, figures of merit were calculated to verify the most suitable models. The results revealed robust models with notable sensitivity, ranging from 0.3 to 329 signal a.u (% w w−1)−1), low limits of detection (LoD) within the range of 0.00–0.1 % w w−1, and remarkable accuracy ranging from 67.8 % to 140.3 %, particularly for Ca, Fe, Mg, and Na. This research takes an essential step in developing simple analytical methods with low waste generation and less environmental impact, thanks to using novel chemometric techniques to process the data.
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spelling Cement classification and characterization using Non-Invasive techniquesCement powderData fusionED-XRFFigures of meritLIBSMultivariate calibrationCement is one of the most widely used materials in the global construction industry, serving as an adhesive and binder in projects that require strength and durability. Additionally, cement production indicates a country's development and economic activity, with global production reaching approximately 4 billion tons annually. It is a fine powder composed mainly of lime, silica, iron oxide, and alumina. Portland cement is the most common type, although a wide variety of types of cement differ in their chemical composition, providing them with specific properties for different applications. A set of fifty samples, consisting of eleven primary samples and thirty-nine blends formed by the combination of these eleven samples, was prepared. Additionally, twenty-four samples were randomly selected for error covariance calculation. Subsequently, two analytical techniques, laser-induced breakdown spectroscopy (LIBS) and energy dispersive X-ray fluorescence (ED-XRF) were applied to quantify aluminum (Al), calcium (Ca), iron (Fe), potassium (K), magnesium (Mg), sodium (Na), and sulfur (S). Afterward, the samples were analyzed via ICP OES after acid mineralization with 8 mL aqua regia in a digester block. Multivariate calibration strategies such as principal component regression (PCR), maximum likelihood principal component regression (MLPCR), partial least-squares regression (PLS), and error covariance penalized regression (ECPR) were employed. Finally, figures of merit were calculated to verify the most suitable models. The results revealed robust models with notable sensitivity, ranging from 0.3 to 329 signal a.u (% w w−1)−1), low limits of detection (LoD) within the range of 0.00–0.1 % w w−1, and remarkable accuracy ranging from 67.8 % to 140.3 %, particularly for Ca, Fe, Mg, and Na. This research takes an essential step in developing simple analytical methods with low waste generation and less environmental impact, thanks to using novel chemometric techniques to process the data.Agencia Nacional de Promoción Científica y TecnológicaCoordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)Consejo Nacional de Investigaciones Científicas y TécnicasUniversidad Nacional de RosarioConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)Departamento de Química Analítica Facultad de Ciencias Bioquímicas y Farmacéuticas Universidad Nacional de Rosario Instituto de Química Rosario (CONICET-UNR), Suipacha 531Institute of Chemistry Paulista State University, São Paulo stateGroup of Applied Instrumental Analysis Department of Chemistry Federal University of São Carlos, P.O. Box 676, São Paulo StateInstitute of Chemistry Paulista State University, São Paulo stateCNPq: 140867/2021-0FAPESP: 2016/17221-8FAPESP: 2019/01102–8FAPESP: 2019/24223-5FAPESP: 2021/10882-7FAPESP: 2022/02232-5CNPq: 302085/2022–0CNPq: 302719/2020-2CNPq: 307328/2019-8Instituto de Química Rosario (CONICET-UNR)Universidade Estadual Paulista (UNESP)Universidade Federal de São Carlos (UFSCar)Romero, EstebanFerreira, Dennis S.Pereira, Fabiola M.V. [UNESP]Olivieri, Alejandro C.Pereira-Filho, Edenir R.Arancibia, Juan A.2025-04-29T19:15:00Z2025-03-01info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articlehttp://dx.doi.org/10.1016/j.talanta.2024.127212Talanta, v. 284.0039-9140https://hdl.handle.net/11449/30258210.1016/j.talanta.2024.1272122-s2.0-85209390422Scopusreponame:Repositório Institucional da UNESPinstname:Universidade Estadual Paulista (UNESP)instacron:UNESPengTalantainfo:eu-repo/semantics/openAccess2025-05-28T07:44:32Zoai:repositorio.unesp.br:11449/302582Repositório InstitucionalPUBhttp://repositorio.unesp.br/oai/requestrepositoriounesp@unesp.bropendoar:29462025-05-28T07:44:32Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)false
dc.title.none.fl_str_mv Cement classification and characterization using Non-Invasive techniques
title Cement classification and characterization using Non-Invasive techniques
spellingShingle Cement classification and characterization using Non-Invasive techniques
Romero, Esteban
Cement powder
Data fusion
ED-XRF
Figures of merit
LIBS
Multivariate calibration
title_short Cement classification and characterization using Non-Invasive techniques
title_full Cement classification and characterization using Non-Invasive techniques
title_fullStr Cement classification and characterization using Non-Invasive techniques
title_full_unstemmed Cement classification and characterization using Non-Invasive techniques
title_sort Cement classification and characterization using Non-Invasive techniques
author Romero, Esteban
author_facet Romero, Esteban
Ferreira, Dennis S.
Pereira, Fabiola M.V. [UNESP]
Olivieri, Alejandro C.
Pereira-Filho, Edenir R.
Arancibia, Juan A.
author_role author
author2 Ferreira, Dennis S.
Pereira, Fabiola M.V. [UNESP]
Olivieri, Alejandro C.
Pereira-Filho, Edenir R.
Arancibia, Juan A.
author2_role author
author
author
author
author
dc.contributor.none.fl_str_mv Instituto de Química Rosario (CONICET-UNR)
Universidade Estadual Paulista (UNESP)
Universidade Federal de São Carlos (UFSCar)
dc.contributor.author.fl_str_mv Romero, Esteban
Ferreira, Dennis S.
Pereira, Fabiola M.V. [UNESP]
Olivieri, Alejandro C.
Pereira-Filho, Edenir R.
Arancibia, Juan A.
dc.subject.por.fl_str_mv Cement powder
Data fusion
ED-XRF
Figures of merit
LIBS
Multivariate calibration
topic Cement powder
Data fusion
ED-XRF
Figures of merit
LIBS
Multivariate calibration
description Cement is one of the most widely used materials in the global construction industry, serving as an adhesive and binder in projects that require strength and durability. Additionally, cement production indicates a country's development and economic activity, with global production reaching approximately 4 billion tons annually. It is a fine powder composed mainly of lime, silica, iron oxide, and alumina. Portland cement is the most common type, although a wide variety of types of cement differ in their chemical composition, providing them with specific properties for different applications. A set of fifty samples, consisting of eleven primary samples and thirty-nine blends formed by the combination of these eleven samples, was prepared. Additionally, twenty-four samples were randomly selected for error covariance calculation. Subsequently, two analytical techniques, laser-induced breakdown spectroscopy (LIBS) and energy dispersive X-ray fluorescence (ED-XRF) were applied to quantify aluminum (Al), calcium (Ca), iron (Fe), potassium (K), magnesium (Mg), sodium (Na), and sulfur (S). Afterward, the samples were analyzed via ICP OES after acid mineralization with 8 mL aqua regia in a digester block. Multivariate calibration strategies such as principal component regression (PCR), maximum likelihood principal component regression (MLPCR), partial least-squares regression (PLS), and error covariance penalized regression (ECPR) were employed. Finally, figures of merit were calculated to verify the most suitable models. The results revealed robust models with notable sensitivity, ranging from 0.3 to 329 signal a.u (% w w−1)−1), low limits of detection (LoD) within the range of 0.00–0.1 % w w−1, and remarkable accuracy ranging from 67.8 % to 140.3 %, particularly for Ca, Fe, Mg, and Na. This research takes an essential step in developing simple analytical methods with low waste generation and less environmental impact, thanks to using novel chemometric techniques to process the data.
publishDate 2025
dc.date.none.fl_str_mv 2025-04-29T19:15:00Z
2025-03-01
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://dx.doi.org/10.1016/j.talanta.2024.127212
Talanta, v. 284.
0039-9140
https://hdl.handle.net/11449/302582
10.1016/j.talanta.2024.127212
2-s2.0-85209390422
url http://dx.doi.org/10.1016/j.talanta.2024.127212
https://hdl.handle.net/11449/302582
identifier_str_mv Talanta, v. 284.
0039-9140
10.1016/j.talanta.2024.127212
2-s2.0-85209390422
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv Talanta
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.source.none.fl_str_mv Scopus
reponame:Repositório Institucional da UNESP
instname:Universidade Estadual Paulista (UNESP)
instacron:UNESP
instname_str Universidade Estadual Paulista (UNESP)
instacron_str UNESP
institution UNESP
reponame_str Repositório Institucional da UNESP
collection Repositório Institucional da UNESP
repository.name.fl_str_mv Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)
repository.mail.fl_str_mv repositoriounesp@unesp.br
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