Computational simulation of Acrylamide and Acrylic Acid reaction by free-radical copolymerization in different reactor configurations and thermal conditions

Bugaiov Azurica, Diego A.

Supervisor(es): Soares, Joao

Resumen:

This study simulates the free-radical copolymerization of acrylamide and acrylic acid. The simulations were carried out for different reactor configurations and thermal conditions. Moreover, the final copolymer microstructure was predicted by using mathematical simulations based on first principles. Although there are a great number of publications about the modelling of polymer reactions, this work aims to estimate the final copolymer microstructure at the end of conversion using a method with lower computational efforts. Those values will determine important properties, among others, physical and chemical behaviours in later copolymer applications. A study of how natural disturbances affect the copolymer properties has been analyzed too. Finally, a controller was implemented to control the temperature reaction as the input variable.


Detalles Bibliográficos
2020
Agencia Nacional de Investigación e Innovación
International Development Research Centre
Copolymerization
Process Control
Computational Simulation
Acrylamide
Acrylic Acid
Ingeniería y Tecnología
Ingeniería Química
Ingeniería de Procesos Químicos
Inglés
Agencia Nacional de Investigación e Innovación
REDI
https://hdl.handle.net/20.500.12381/240
Acceso abierto
Reconocimiento-SinObraDerivada 4.0 Internacional. (CC BY-ND)
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author Bugaiov Azurica, Diego A.
author_facet Bugaiov Azurica, Diego A.
author_role author
bitstream.checksum.fl_str_mv 2d97768b1a25a7df5a347bb58fd2d77f
d962760458ac7ab2c442f881c61a9ab7
bitstream.checksumAlgorithm.fl_str_mv MD5
MD5
bitstream.url.fl_str_mv https://redi.anii.org.uy/jspui/bitstream/20.500.12381/240/2/license.txt
https://redi.anii.org.uy/jspui/bitstream/20.500.12381/240/1/Capstone%20Report%20-%20Diego%20Bugaiov.pdf
collection REDI
dc.creator.advisor.none.fl_str_mv Soares, Joao
dc.creator.none.fl_str_mv Bugaiov Azurica, Diego A.
dc.date.accessioned.none.fl_str_mv 2020-06-15T17:41:37Z
dc.date.available.none.fl_str_mv 2020-06-15T17:41:37Z
dc.date.issued.none.fl_str_mv 2020-04-09
dc.description.abstract.none.fl_txt_mv This study simulates the free-radical copolymerization of acrylamide and acrylic acid. The simulations were carried out for different reactor configurations and thermal conditions. Moreover, the final copolymer microstructure was predicted by using mathematical simulations based on first principles. Although there are a great number of publications about the modelling of polymer reactions, this work aims to estimate the final copolymer microstructure at the end of conversion using a method with lower computational efforts. Those values will determine important properties, among others, physical and chemical behaviours in later copolymer applications. A study of how natural disturbances affect the copolymer properties has been analyzed too. Finally, a controller was implemented to control the temperature reaction as the input variable.
dc.description.sponsorship.none.fl_txt_mv Agencia Nacional de Investigación e Innovación
International Development Research Centre
dc.identifier.anii.es.fl_str_mv POS_IDRC_2018_1_152765
dc.identifier.uri.none.fl_str_mv https://hdl.handle.net/20.500.12381/240
dc.language.iso.none.fl_str_mv eng
dc.publisher.es.fl_str_mv University of Alberta
dc.rights.es.fl_str_mv Acceso abierto
dc.rights.license.none.fl_str_mv Reconocimiento-SinObraDerivada 4.0 Internacional. (CC BY-ND)
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
dc.source.none.fl_str_mv reponame:REDI
instname:Agencia Nacional de Investigación e Innovación
instacron:Agencia Nacional de Investigación e Innovación
dc.subject.anii.es.fl_str_mv Ingeniería y Tecnología
Ingeniería Química
Ingeniería de Procesos Químicos
dc.subject.es.fl_str_mv Copolymerization
Process Control
Computational Simulation
Acrylamide
Acrylic Acid
dc.title.none.fl_str_mv Computational simulation of Acrylamide and Acrylic Acid reaction by free-radical copolymerization in different reactor configurations and thermal conditions
dc.type.es.fl_str_mv Tesis de maestría
dc.type.none.fl_str_mv info:eu-repo/semantics/masterThesis
dc.type.version.es.fl_str_mv Aceptado
dc.type.version.none.fl_str_mv info:eu-repo/semantics/acceptedVersion
description This study simulates the free-radical copolymerization of acrylamide and acrylic acid. The simulations were carried out for different reactor configurations and thermal conditions. Moreover, the final copolymer microstructure was predicted by using mathematical simulations based on first principles. Although there are a great number of publications about the modelling of polymer reactions, this work aims to estimate the final copolymer microstructure at the end of conversion using a method with lower computational efforts. Those values will determine important properties, among others, physical and chemical behaviours in later copolymer applications. A study of how natural disturbances affect the copolymer properties has been analyzed too. Finally, a controller was implemented to control the temperature reaction as the input variable.
eu_rights_str_mv openAccess
format masterThesis
id REDI_defbcfb86e003f1518a14a8dd8e22a0a
identifier_str_mv POS_IDRC_2018_1_152765
instacron_str Agencia Nacional de Investigación e Innovación
institution Agencia Nacional de Investigación e Innovación
instname_str Agencia Nacional de Investigación e Innovación
language eng
network_acronym_str REDI
network_name_str REDI
oai_identifier_str oai:redi.anii.org.uy:20.500.12381/240
publishDate 2020
reponame_str REDI
repository.mail.fl_str_mv jmaldini@anii.org.uy
repository.name.fl_str_mv REDI - Agencia Nacional de Investigación e Innovación
repository_id_str 9421
rights_invalid_str_mv Reconocimiento-SinObraDerivada 4.0 Internacional. (CC BY-ND)
Acceso abierto
spelling Reconocimiento-SinObraDerivada 4.0 Internacional. (CC BY-ND)Acceso abiertoinfo:eu-repo/semantics/openAccess2020-06-15T17:41:37Z2020-06-15T17:41:37Z2020-04-09https://hdl.handle.net/20.500.12381/240POS_IDRC_2018_1_152765This study simulates the free-radical copolymerization of acrylamide and acrylic acid. The simulations were carried out for different reactor configurations and thermal conditions. Moreover, the final copolymer microstructure was predicted by using mathematical simulations based on first principles. Although there are a great number of publications about the modelling of polymer reactions, this work aims to estimate the final copolymer microstructure at the end of conversion using a method with lower computational efforts. Those values will determine important properties, among others, physical and chemical behaviours in later copolymer applications. A study of how natural disturbances affect the copolymer properties has been analyzed too. Finally, a controller was implemented to control the temperature reaction as the input variable.Agencia Nacional de Investigación e InnovaciónInternational Development Research CentreengUniversity of AlbertaCopolymerizationProcess ControlComputational SimulationAcrylamideAcrylic AcidIngeniería y TecnologíaIngeniería QuímicaIngeniería de Procesos QuímicosComputational simulation of Acrylamide and Acrylic Acid reaction by free-radical copolymerization in different reactor configurations and thermal conditionsTesis de maestríaAceptadoinfo:eu-repo/semantics/acceptedVersioninfo:eu-repo/semantics/masterThesisreponame:REDIinstname:Agencia Nacional de Investigación e Innovacióninstacron:Agencia Nacional de Investigación e InnovaciónBugaiov Azurica, Diego A.Soares, JoaoLICENSElicense.txtlicense.txttext/plain; charset=utf-84746https://redi.anii.org.uy/jspui/bitstream/20.500.12381/240/2/license.txt2d97768b1a25a7df5a347bb58fd2d77fMD52ORIGINALCapstone Report - Diego Bugaiov.pdfCapstone Report - Diego Bugaiov.pdfapplication/pdf3051476https://redi.anii.org.uy/jspui/bitstream/20.500.12381/240/1/Capstone%20Report%20-%20Diego%20Bugaiov.pdfd962760458ac7ab2c442f881c61a9ab7MD5120.500.12381/2402020-09-18 12:20:11.302oai:redi.anii.org.uy:20.500.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- Agencia Nacional de Investigación e Innovaciónfalse
spellingShingle Computational simulation of Acrylamide and Acrylic Acid reaction by free-radical copolymerization in different reactor configurations and thermal conditions
Bugaiov Azurica, Diego A.
Copolymerization
Process Control
Computational Simulation
Acrylamide
Acrylic Acid
Ingeniería y Tecnología
Ingeniería Química
Ingeniería de Procesos Químicos
status_str acceptedVersion
title Computational simulation of Acrylamide and Acrylic Acid reaction by free-radical copolymerization in different reactor configurations and thermal conditions
title_full Computational simulation of Acrylamide and Acrylic Acid reaction by free-radical copolymerization in different reactor configurations and thermal conditions
title_fullStr Computational simulation of Acrylamide and Acrylic Acid reaction by free-radical copolymerization in different reactor configurations and thermal conditions
title_full_unstemmed Computational simulation of Acrylamide and Acrylic Acid reaction by free-radical copolymerization in different reactor configurations and thermal conditions
title_short Computational simulation of Acrylamide and Acrylic Acid reaction by free-radical copolymerization in different reactor configurations and thermal conditions
title_sort Computational simulation of Acrylamide and Acrylic Acid reaction by free-radical copolymerization in different reactor configurations and thermal conditions
topic Copolymerization
Process Control
Computational Simulation
Acrylamide
Acrylic Acid
Ingeniería y Tecnología
Ingeniería Química
Ingeniería de Procesos Químicos
url https://hdl.handle.net/20.500.12381/240