Stochastic modeling of the thermal and catalytic degradation of polyethylene using simultaneous DSC/TG analysis

Detalhes bibliográficos
Autor(a) principal: Trindade, Nuno Miguel Passarinho
Data de Publicação: 2012
Tipo de documento: Dissertação
Idioma: eng
Título da fonte: Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
Texto Completo: http://hdl.handle.net/10362/8468
Resumo: Dissertação para obtenção do Grau de Mestre em Engenharia Química e Bioquímica
id RCAP_0365dad46206b0f95c15dbaa2b3a8048
oai_identifier_str oai:run.unl.pt:10362/8468
network_acronym_str RCAP
network_name_str Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
repository_id_str 7160
spelling Stochastic modeling of the thermal and catalytic degradation of polyethylene using simultaneous DSC/TG analysisHigh-density polyethylene (HDPE)Kinetic modelingStochastic modelingThermal and catalytic degradationDifferential scanning calorimetry (DSC)Thermogravimetry (TG)Dissertação para obtenção do Grau de Mestre em Engenharia Química e BioquímicaIn the present work a stochastic model to be used for analyzing and predicting experimental data from simultaneous thermogravimetric (TG) and differential scanning calorimetry (DSC) experiments on the thermal and catalytic degradation of high-density polyethylene (HDPE) was developed. Unlike the deterministic models, already developed, with this one it’s possible to compute the mass and energy curves measured by simultaneous TG/DSC assays, as well as to predict the product distribution resulting from primary cracking of the polymer, without using any experimental information. For the stochastic model to predict the mass change as well as the energy involved in the whole process of HDPE pyrolysis, a reliable model for the cracking reaction and a set of vaporization laws suitable to compute the vaporization rates are needed. In order to understand the vaporization process, this was investigated separately from cracking. For that, a set of results from TG/DSC experiments using species that vaporize well before they crack was used to obtain a global correlation between the kinetic parameters for vaporization and the number of C-C bonds in the hydrocarbon chain. The best fitting curves were chosen based on the model ability to superimpose the experimental rates and produce consistent results for heavier hydrocarbons. The model correlations were implemented in the program’s code and allowed the prediction of the vaporization rates. For the determination of the global kinetic parameters of the degradation reaction to use in the stochastic model, a study on how these parameters influence the TG/DSC curves progress was performed varying those parameters in several simulations, comparing them with experimental data from thermal and catalytic (ZSM-5 zeolite) degradation of HDPE and choosing the best fitting. For additional improvements in the DSC stochastic model simulated curves, the thermodynamic parameters were also fitted. Additional molecular simulation studies based on quantum models were performed for a deeper understanding on the reaction mechanism and progress. The prediction of the products distribution was not the main object of the investigation in this work although preliminary results have been obtained which reveal some discrepancies in relation to the experimental data. Therefore, in future investigations, an improvement of this aspect is necessary to have a stochastic model which predicts the whole information needed to characterize HDPE degradation reaction.Faculdade de Ciências e TecnologiaLemos, FranciscoFonseca, IsabelRUNTrindade, Nuno Miguel Passarinho2013-01-08T14:57:46Z20122012-01-01T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/masterThesisapplication/pdfhttp://hdl.handle.net/10362/8468enginfo:eu-repo/semantics/openAccessreponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãoinstacron:RCAAP2024-03-11T03:41:05Zoai:run.unl.pt:10362/8468Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-20T03:18:12.908144Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãofalse
dc.title.none.fl_str_mv Stochastic modeling of the thermal and catalytic degradation of polyethylene using simultaneous DSC/TG analysis
title Stochastic modeling of the thermal and catalytic degradation of polyethylene using simultaneous DSC/TG analysis
spellingShingle Stochastic modeling of the thermal and catalytic degradation of polyethylene using simultaneous DSC/TG analysis
Trindade, Nuno Miguel Passarinho
High-density polyethylene (HDPE)
Kinetic modeling
Stochastic modeling
Thermal and catalytic degradation
Differential scanning calorimetry (DSC)
Thermogravimetry (TG)
title_short Stochastic modeling of the thermal and catalytic degradation of polyethylene using simultaneous DSC/TG analysis
title_full Stochastic modeling of the thermal and catalytic degradation of polyethylene using simultaneous DSC/TG analysis
title_fullStr Stochastic modeling of the thermal and catalytic degradation of polyethylene using simultaneous DSC/TG analysis
title_full_unstemmed Stochastic modeling of the thermal and catalytic degradation of polyethylene using simultaneous DSC/TG analysis
title_sort Stochastic modeling of the thermal and catalytic degradation of polyethylene using simultaneous DSC/TG analysis
author Trindade, Nuno Miguel Passarinho
author_facet Trindade, Nuno Miguel Passarinho
author_role author
dc.contributor.none.fl_str_mv Lemos, Francisco
Fonseca, Isabel
RUN
dc.contributor.author.fl_str_mv Trindade, Nuno Miguel Passarinho
dc.subject.por.fl_str_mv High-density polyethylene (HDPE)
Kinetic modeling
Stochastic modeling
Thermal and catalytic degradation
Differential scanning calorimetry (DSC)
Thermogravimetry (TG)
topic High-density polyethylene (HDPE)
Kinetic modeling
Stochastic modeling
Thermal and catalytic degradation
Differential scanning calorimetry (DSC)
Thermogravimetry (TG)
description Dissertação para obtenção do Grau de Mestre em Engenharia Química e Bioquímica
publishDate 2012
dc.date.none.fl_str_mv 2012
2012-01-01T00:00:00Z
2013-01-08T14:57:46Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/masterThesis
format masterThesis
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://hdl.handle.net/10362/8468
url http://hdl.handle.net/10362/8468
dc.language.iso.fl_str_mv eng
language eng
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Faculdade de Ciências e Tecnologia
publisher.none.fl_str_mv Faculdade de Ciências e Tecnologia
dc.source.none.fl_str_mv reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
instacron:RCAAP
instname_str Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
instacron_str RCAAP
institution RCAAP
reponame_str Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
collection Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
repository.name.fl_str_mv Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
repository.mail.fl_str_mv
_version_ 1799137828304584704

Registros relacionados