Cement classification and characterization using Non-Invasive techniques
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Publication Date: | 2025 |
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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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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) |
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UNESP |
reponame_str |
Repositório Institucional da UNESP |
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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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1834482867832356864 |