Proposição de modelos de classificação e de calibração para polímeros presentes em resíduos eletrônicos empregando laser-induced breakdown spectroscopy (LIBS) e ferramentas quimiométricas
Ano de defesa: | 2019 |
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Autor(a) principal: | |
Orientador(a): | |
Banca de defesa: | |
Tipo de documento: | Tese |
Tipo de acesso: | Acesso aberto |
Idioma: | eng |
Instituição de defesa: |
Universidade Federal de São Carlos
Câmpus São Carlos |
Programa de Pós-Graduação: |
Programa de Pós-Graduação em Química - PPGQ
|
Departamento: |
Não Informado pela instituição
|
País: |
Não Informado pela instituição
|
Palavras-chave em Português: | |
Área do conhecimento CNPq: | |
Link de acesso: | https://repositorio.ufscar.br/handle/ufscar/11985 |
Resumo: | This thesis proposes the development of analytical methods for the analysis of polymers from waste electrical electronic equipment (WEEE) by laser-Induced breakdown spectroscopy (LIBS). The results presented in the chapters 2 and 3 of this thesis were developed in collaboration with a recycling company of WEEE called REVERSA. In the first method proposed LIBS was used for the identification and classification of six polymers and a total of 477 samples were analyzed. Classification models using k-nearest neighbors (KNN) and soft independent modeling of class analogy (SIMCA) were used to classify the polymers. The proposed models presented satisfactory results for the validation samples, with accuracy of 98% for KNN and 92% for SIMCA. In addition, other validation parameters such as sensitivity, false alarm rate and specificity showed adequate. In the second method, the LIBS was employed to determination of the constituents polycarbonate (PC) and acrylonitrile-butadiene-styrene (ABS) in PC/ABS blends. For this were built multivariate calibration models using partial least squares (PLS). The PLS models obtained for the PC and ABS presented good analytical parameters as: i) standard error calibration (SEC) of 3.4 (w/w%); (ii) standard error of cross-validation (SECV) of 5.6 (w/w%); iii) linear correlation coefficient of 0.996; iv) number of latent variables equal to 2; v) explained variance of 70%. For the validation of the PLS models PC/ABS blends with unknown concentrations of PC and ABS were analyzed, and the information provided by LIBS was in agreement with the reference technique. A third method was developed in collaboration with a plastics recycling company of car batteries. These plastics were contaminated with Pb and the objective was to evaluate different calibration strategies in LIBS for the quantitative determination of this analyte. Multivariate calibration strategies and a new univariate strategy were proposed. The new univariate calibration strategy was called a two-point calibration transfer and the results presented were satisfactory. The chemometrics tools including experimental desing, supervised methods for classification, unsupervised methods and multivariate calibration were employed during the development of the methods proposed in this thesis. |
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Costa, Vinicius CamaraPereira Filho, Edenir Rodrigueshttp://lattes.cnpq.br/3394181280355442http://lattes.cnpq.br/61624097953051772019-10-24T19:43:37Z2019-10-24T19:43:37Z2019-07-29COSTA, Vinicius Camara. Proposição de modelos de classificação e de calibração para polímeros presentes em resíduos eletrônicos empregando laser-induced breakdown spectroscopy (LIBS) e ferramentas quimiométricas. 2019. Tese (Doutorado em Química) – Universidade Federal de São Carlos, São Carlos, 2019. Disponível em: https://repositorio.ufscar.br/handle/ufscar/11985.https://repositorio.ufscar.br/handle/ufscar/11985This thesis proposes the development of analytical methods for the analysis of polymers from waste electrical electronic equipment (WEEE) by laser-Induced breakdown spectroscopy (LIBS). The results presented in the chapters 2 and 3 of this thesis were developed in collaboration with a recycling company of WEEE called REVERSA. In the first method proposed LIBS was used for the identification and classification of six polymers and a total of 477 samples were analyzed. Classification models using k-nearest neighbors (KNN) and soft independent modeling of class analogy (SIMCA) were used to classify the polymers. The proposed models presented satisfactory results for the validation samples, with accuracy of 98% for KNN and 92% for SIMCA. In addition, other validation parameters such as sensitivity, false alarm rate and specificity showed adequate. In the second method, the LIBS was employed to determination of the constituents polycarbonate (PC) and acrylonitrile-butadiene-styrene (ABS) in PC/ABS blends. For this were built multivariate calibration models using partial least squares (PLS). The PLS models obtained for the PC and ABS presented good analytical parameters as: i) standard error calibration (SEC) of 3.4 (w/w%); (ii) standard error of cross-validation (SECV) of 5.6 (w/w%); iii) linear correlation coefficient of 0.996; iv) number of latent variables equal to 2; v) explained variance of 70%. For the validation of the PLS models PC/ABS blends with unknown concentrations of PC and ABS were analyzed, and the information provided by LIBS was in agreement with the reference technique. A third method was developed in collaboration with a plastics recycling company of car batteries. These plastics were contaminated with Pb and the objective was to evaluate different calibration strategies in LIBS for the quantitative determination of this analyte. Multivariate calibration strategies and a new univariate strategy were proposed. The new univariate calibration strategy was called a two-point calibration transfer and the results presented were satisfactory. The chemometrics tools including experimental desing, supervised methods for classification, unsupervised methods and multivariate calibration were employed during the development of the methods proposed in this thesis.Esta tese propõem o desenvolvimento de métodos analíticos para análise de polímeros provenientes dos resíduos de equipamentos elétricos eletrônicos (WEEE), por laser-Induced breakdown spectroscopy (LIBS). Os resultados apresentados nos capítulos 2 e 3 dessa tese foram desenvolvidos em colaboração com uma empresa de reciclagem de WEEE chamada REVERSA. No primeiro método proposto a LIBS foi usada para à identificação e classificação de seis polímeros e um total de 477 amostras foram analisadas. Modelos de classificação usando o k-nearest neighbors (KNN) e soft independent modelling of class analogy (SIMCA), foram usados para classificar os polímeros. Os modelos propostos apresentaram resultados satisfatórios para as amostras de validação, com exatidão de 98% para o KNN e 92% para o SIMCA. Além disso, os demais parâmetros de validação como sensibilidade, taxa de alarme falso e especificidade mostraram-se adequados. No segundo método a LIBS foi empregada para determinação dos constituintes policarbonato (PC) e acrinolitrilabutadieno-estireno (ABS) nas blendas PC/ABS. Para isso foram construídos modelos de calibração multivariada usando partial least squares (PLS). Os modelos PLS obtidos para o PC e ABS apresentaram bons parâmetros analíticos, como: i) standard error calibration (SEC) de 3,4 (m/m%); ii) standard error of cross-validation (SECV) de 5,6 (m/m%); iii) coeficiente de correlação linear de 0,996; iv) número de variáveis latentes igual a 2; v) variância explicada de 70%. Para a validação dos modelos PLS foram analisadas blendas PC/ABS com concentrações desconhecidas de PC e ABS e as informações previstas pela LIBS estava em concordância com a técnica de referência. Um terceiro método foi desenvolvido em parceria com uma empresa de reciclagem de plásticos de baterias de carro. Esses plásticos estavam contaminados com Pb e objetivo foi avaliar diferentes estratégias de calibração em LIBS visando a determinação quantitativa deste analito. Estratégias de calibração multivariada e uma nova estratégia univariada foram propostas. A nova estratégia de calibração univariada foi denominada de transferência de calibração com dois pontos e os resultados apresentados foram satisfatorios. As ferramentas quimiométricas, incluindo planejamento experimental, métodos supervisionados para classificação, métodos não supervisionados e calibração multivariada foram empregadas durante o desenvolvimento dos métodos propostos nesta tese.Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)CAPES: Código de Financiamento 001engUniversidade Federal de São CarlosCâmpus São CarlosPrograma de Pós-Graduação em Química - PPGQUFSCarAttribution-NonCommercial-NoDerivs 3.0 Brazilhttp://creativecommons.org/licenses/by-nc-nd/3.0/br/info:eu-repo/semantics/openAccessLIBSPolímerosModelos de classificaçãoQuimiometriaWEEEENGENHARIAS::ENGENHARIA QUIMICA::TECNOLOGIA QUIMICA::POLIMEROSProposição de modelos de classificação e de calibração para polímeros presentes em resíduos eletrônicos empregando laser-induced breakdown spectroscopy (LIBS) e ferramentas quimiométricasProposition of classification and calibration models for polymers present in waste electrical and electronic equipaments (WEEE) employing laser-induced breakdown spectroscopy (LIBS) and chemometric toolsinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/doctoralThesisreponame:Repositório Institucional da UFSCARinstname:Universidade Federal de São Carlos (UFSCAR)instacron:UFSCARORIGINALtese_VCC.pdftese_VCC.pdfTESE DE DOUTORADOapplication/pdf4800213https://{{ getenv "DSPACE_HOST" "repositorio.ufscar.br" }}/bitstream/ufscar/11985/1/tese_VCC.pdf745d000ea407e971e246ce8ee3049b72MD51carta.pdfcarta.pdfapplication/pdf165887https://{{ getenv "DSPACE_HOST" "repositorio.ufscar.br" }}/bitstream/ufscar/11985/3/carta.pdfc402e8e757569366d9da58840db9fcc0MD53CC-LICENSElicense_rdflicense_rdfapplication/rdf+xml; charset=utf-8811https://{{ getenv "DSPACE_HOST" "repositorio.ufscar.br" }}/bitstream/ufscar/11985/4/license_rdfe39d27027a6cc9cb039ad269a5db8e34MD54TEXTtese_VCC.pdf.txttese_VCC.pdf.txtExtracted texttext/plain186868https://{{ getenv "DSPACE_HOST" "repositorio.ufscar.br" }}/bitstream/ufscar/11985/5/tese_VCC.pdf.txtfb95c2cc761cd48d897398c34de469a5MD55carta.pdf.txtcarta.pdf.txtExtracted texttext/plain1501https://{{ getenv "DSPACE_HOST" "repositorio.ufscar.br" }}/bitstream/ufscar/11985/7/carta.pdf.txt1d0b6647c825fbc96fc36c944a80f6fdMD57THUMBNAILtese_VCC.pdf.jpgtese_VCC.pdf.jpgIM Thumbnailimage/jpeg10904https://{{ getenv "DSPACE_HOST" "repositorio.ufscar.br" }}/bitstream/ufscar/11985/6/tese_VCC.pdf.jpg9019de1da98bbe1cc85348875ca5d816MD56carta.pdf.jpgcarta.pdf.jpgIM Thumbnailimage/jpeg12836https://{{ getenv "DSPACE_HOST" "repositorio.ufscar.br" }}/bitstream/ufscar/11985/8/carta.pdf.jpg395d05662168fefeaa08cc0d509db3ffMD58ufscar/119852019-10-25 06:14:32.154oai:repositorio.ufscar.br:ufscar/11985Repositório InstitucionalPUBhttps://repositorio.ufscar.br/oai/requestopendoar:43222023-05-25T12:58:23.916073Repositório Institucional da UFSCAR - Universidade Federal de São Carlos (UFSCAR)false |
dc.title.por.fl_str_mv |
Proposição de modelos de classificação e de calibração para polímeros presentes em resíduos eletrônicos empregando laser-induced breakdown spectroscopy (LIBS) e ferramentas quimiométricas |
dc.title.alternative.eng.fl_str_mv |
Proposition of classification and calibration models for polymers present in waste electrical and electronic equipaments (WEEE) employing laser-induced breakdown spectroscopy (LIBS) and chemometric tools |
title |
Proposição de modelos de classificação e de calibração para polímeros presentes em resíduos eletrônicos empregando laser-induced breakdown spectroscopy (LIBS) e ferramentas quimiométricas |
spellingShingle |
Proposição de modelos de classificação e de calibração para polímeros presentes em resíduos eletrônicos empregando laser-induced breakdown spectroscopy (LIBS) e ferramentas quimiométricas Costa, Vinicius Camara LIBS Polímeros Modelos de classificação Quimiometria WEEE ENGENHARIAS::ENGENHARIA QUIMICA::TECNOLOGIA QUIMICA::POLIMEROS |
title_short |
Proposição de modelos de classificação e de calibração para polímeros presentes em resíduos eletrônicos empregando laser-induced breakdown spectroscopy (LIBS) e ferramentas quimiométricas |
title_full |
Proposição de modelos de classificação e de calibração para polímeros presentes em resíduos eletrônicos empregando laser-induced breakdown spectroscopy (LIBS) e ferramentas quimiométricas |
title_fullStr |
Proposição de modelos de classificação e de calibração para polímeros presentes em resíduos eletrônicos empregando laser-induced breakdown spectroscopy (LIBS) e ferramentas quimiométricas |
title_full_unstemmed |
Proposição de modelos de classificação e de calibração para polímeros presentes em resíduos eletrônicos empregando laser-induced breakdown spectroscopy (LIBS) e ferramentas quimiométricas |
title_sort |
Proposição de modelos de classificação e de calibração para polímeros presentes em resíduos eletrônicos empregando laser-induced breakdown spectroscopy (LIBS) e ferramentas quimiométricas |
author |
Costa, Vinicius Camara |
author_facet |
Costa, Vinicius Camara |
author_role |
author |
dc.contributor.authorlattes.por.fl_str_mv |
http://lattes.cnpq.br/6162409795305177 |
dc.contributor.author.fl_str_mv |
Costa, Vinicius Camara |
dc.contributor.advisor1.fl_str_mv |
Pereira Filho, Edenir Rodrigues |
dc.contributor.advisor1Lattes.fl_str_mv |
http://lattes.cnpq.br/3394181280355442 |
contributor_str_mv |
Pereira Filho, Edenir Rodrigues |
dc.subject.por.fl_str_mv |
LIBS Polímeros Modelos de classificação Quimiometria WEEE |
topic |
LIBS Polímeros Modelos de classificação Quimiometria WEEE ENGENHARIAS::ENGENHARIA QUIMICA::TECNOLOGIA QUIMICA::POLIMEROS |
dc.subject.cnpq.fl_str_mv |
ENGENHARIAS::ENGENHARIA QUIMICA::TECNOLOGIA QUIMICA::POLIMEROS |
description |
This thesis proposes the development of analytical methods for the analysis of polymers from waste electrical electronic equipment (WEEE) by laser-Induced breakdown spectroscopy (LIBS). The results presented in the chapters 2 and 3 of this thesis were developed in collaboration with a recycling company of WEEE called REVERSA. In the first method proposed LIBS was used for the identification and classification of six polymers and a total of 477 samples were analyzed. Classification models using k-nearest neighbors (KNN) and soft independent modeling of class analogy (SIMCA) were used to classify the polymers. The proposed models presented satisfactory results for the validation samples, with accuracy of 98% for KNN and 92% for SIMCA. In addition, other validation parameters such as sensitivity, false alarm rate and specificity showed adequate. In the second method, the LIBS was employed to determination of the constituents polycarbonate (PC) and acrylonitrile-butadiene-styrene (ABS) in PC/ABS blends. For this were built multivariate calibration models using partial least squares (PLS). The PLS models obtained for the PC and ABS presented good analytical parameters as: i) standard error calibration (SEC) of 3.4 (w/w%); (ii) standard error of cross-validation (SECV) of 5.6 (w/w%); iii) linear correlation coefficient of 0.996; iv) number of latent variables equal to 2; v) explained variance of 70%. For the validation of the PLS models PC/ABS blends with unknown concentrations of PC and ABS were analyzed, and the information provided by LIBS was in agreement with the reference technique. A third method was developed in collaboration with a plastics recycling company of car batteries. These plastics were contaminated with Pb and the objective was to evaluate different calibration strategies in LIBS for the quantitative determination of this analyte. Multivariate calibration strategies and a new univariate strategy were proposed. The new univariate calibration strategy was called a two-point calibration transfer and the results presented were satisfactory. The chemometrics tools including experimental desing, supervised methods for classification, unsupervised methods and multivariate calibration were employed during the development of the methods proposed in this thesis. |
publishDate |
2019 |
dc.date.accessioned.fl_str_mv |
2019-10-24T19:43:37Z |
dc.date.available.fl_str_mv |
2019-10-24T19:43:37Z |
dc.date.issued.fl_str_mv |
2019-07-29 |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/doctoralThesis |
format |
doctoralThesis |
status_str |
publishedVersion |
dc.identifier.citation.fl_str_mv |
COSTA, Vinicius Camara. Proposição de modelos de classificação e de calibração para polímeros presentes em resíduos eletrônicos empregando laser-induced breakdown spectroscopy (LIBS) e ferramentas quimiométricas. 2019. Tese (Doutorado em Química) – Universidade Federal de São Carlos, São Carlos, 2019. Disponível em: https://repositorio.ufscar.br/handle/ufscar/11985. |
dc.identifier.uri.fl_str_mv |
https://repositorio.ufscar.br/handle/ufscar/11985 |
identifier_str_mv |
COSTA, Vinicius Camara. Proposição de modelos de classificação e de calibração para polímeros presentes em resíduos eletrônicos empregando laser-induced breakdown spectroscopy (LIBS) e ferramentas quimiométricas. 2019. Tese (Doutorado em Química) – Universidade Federal de São Carlos, São Carlos, 2019. Disponível em: https://repositorio.ufscar.br/handle/ufscar/11985. |
url |
https://repositorio.ufscar.br/handle/ufscar/11985 |
dc.language.iso.fl_str_mv |
eng |
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eng |
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Attribution-NonCommercial-NoDerivs 3.0 Brazil http://creativecommons.org/licenses/by-nc-nd/3.0/br/ info:eu-repo/semantics/openAccess |
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Attribution-NonCommercial-NoDerivs 3.0 Brazil http://creativecommons.org/licenses/by-nc-nd/3.0/br/ |
eu_rights_str_mv |
openAccess |
dc.publisher.none.fl_str_mv |
Universidade Federal de São Carlos Câmpus São Carlos |
dc.publisher.program.fl_str_mv |
Programa de Pós-Graduação em Química - PPGQ |
dc.publisher.initials.fl_str_mv |
UFSCar |
publisher.none.fl_str_mv |
Universidade Federal de São Carlos Câmpus São Carlos |
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