STOCHASTIC MODELING OF LIVING/CONTROLLED COPOLYMERIZATIONS IN TUBULAR REACTORS WITH LATERAL FEED
It is known the controlled microstructure polymers production increase in continuous reactors due to all industrial advantages that this type of operation presents. In this paper, the synthesis via Nitroxide-Mediated Polymerization (NMP) of copolymers based on styrene and methyl methacrylate accomp...
Saved in:
| Main Authors: | , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Universidade Federal de Viçosa (UFV)
2020-06-01
|
| Series: | The Journal of Engineering and Exact Sciences |
| Subjects: | |
| Online Access: | https://periodicos.ufv.br/jcec/article/view/10453 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1832569647156690944 |
|---|---|
| author | Matheus Dias de Carvalho Tiago Silva Miranda Lemos Jorge David Alguiar Bellido Antonio Marcos de Oliveira Siqueira |
| author_facet | Matheus Dias de Carvalho Tiago Silva Miranda Lemos Jorge David Alguiar Bellido Antonio Marcos de Oliveira Siqueira |
| author_sort | Matheus Dias de Carvalho |
| collection | DOAJ |
| description |
It is known the controlled microstructure polymers production increase in continuous reactors due to all industrial advantages that this type of operation presents. In this paper, the synthesis via Nitroxide-Mediated Polymerization (NMP) of copolymers based on styrene and methyl methacrylate accomplished in a tubular reactor with lateral feed is modeled by Kinect Monte Carlo (kMC). This reactional configuration aims the copolymers production with originals microstructure and applications. There were obtained all the microstructural properties distributions of the synthesized material at interest and the conversion values, Polydispersity Index (PDI) and chains average molar mass are compared to experimental data. The conversion presented minimum and maximum deviation in the module of 0.61 and -21.85%, respectively. For the PDI and the molar mass, there were obtained minimum and maximum errors of 0.72%, 1.50%, -23.10% and 1.77%, respectively. It was verified that the formed product differed from the expected one in experiments. There were found copolymers of polystyrene-b-poly(methyl styrene-rand-methacrylate), not being found any region that presented composition gradient through the chains, differently than it had been foreseen in the experimental synthesis, results that show the relevance of a stochastic simulation in the process to make decisions in the context of polymer reaction engineering.
|
| format | Article |
| id | doaj-art-2f739f0b493647cb9b3f8f3649b9aeea |
| institution | Kabale University |
| issn | 2527-1075 |
| language | English |
| publishDate | 2020-06-01 |
| publisher | Universidade Federal de Viçosa (UFV) |
| record_format | Article |
| series | The Journal of Engineering and Exact Sciences |
| spelling | doaj-art-2f739f0b493647cb9b3f8f3649b9aeea2025-02-02T19:58:20ZengUniversidade Federal de Viçosa (UFV)The Journal of Engineering and Exact Sciences2527-10752020-06-016210.18540/jcecvl6iss2pp0129-0138STOCHASTIC MODELING OF LIVING/CONTROLLED COPOLYMERIZATIONS IN TUBULAR REACTORS WITH LATERAL FEEDMatheus Dias de Carvalho0Tiago Silva Miranda Lemos1Jorge David Alguiar Bellido2Antonio Marcos de Oliveira Siqueira3Federal University of Viçosa, Chemical Engineering ProgramFederal University of Rio de Janeiro, Chemical Engineering Program/COPPE, University City, Technology CenterFederal University of São João Del-rei, Campus Alto Paraopeba (CAP), Ouro BrancoFederal University of Viçosa, Chemical Engineering Program It is known the controlled microstructure polymers production increase in continuous reactors due to all industrial advantages that this type of operation presents. In this paper, the synthesis via Nitroxide-Mediated Polymerization (NMP) of copolymers based on styrene and methyl methacrylate accomplished in a tubular reactor with lateral feed is modeled by Kinect Monte Carlo (kMC). This reactional configuration aims the copolymers production with originals microstructure and applications. There were obtained all the microstructural properties distributions of the synthesized material at interest and the conversion values, Polydispersity Index (PDI) and chains average molar mass are compared to experimental data. The conversion presented minimum and maximum deviation in the module of 0.61 and -21.85%, respectively. For the PDI and the molar mass, there were obtained minimum and maximum errors of 0.72%, 1.50%, -23.10% and 1.77%, respectively. It was verified that the formed product differed from the expected one in experiments. There were found copolymers of polystyrene-b-poly(methyl styrene-rand-methacrylate), not being found any region that presented composition gradient through the chains, differently than it had been foreseen in the experimental synthesis, results that show the relevance of a stochastic simulation in the process to make decisions in the context of polymer reaction engineering. https://periodicos.ufv.br/jcec/article/view/10453PolymerizationMonte CarloMicrostructureStochastic |
| spellingShingle | Matheus Dias de Carvalho Tiago Silva Miranda Lemos Jorge David Alguiar Bellido Antonio Marcos de Oliveira Siqueira STOCHASTIC MODELING OF LIVING/CONTROLLED COPOLYMERIZATIONS IN TUBULAR REACTORS WITH LATERAL FEED The Journal of Engineering and Exact Sciences Polymerization Monte Carlo Microstructure Stochastic |
| title | STOCHASTIC MODELING OF LIVING/CONTROLLED COPOLYMERIZATIONS IN TUBULAR REACTORS WITH LATERAL FEED |
| title_full | STOCHASTIC MODELING OF LIVING/CONTROLLED COPOLYMERIZATIONS IN TUBULAR REACTORS WITH LATERAL FEED |
| title_fullStr | STOCHASTIC MODELING OF LIVING/CONTROLLED COPOLYMERIZATIONS IN TUBULAR REACTORS WITH LATERAL FEED |
| title_full_unstemmed | STOCHASTIC MODELING OF LIVING/CONTROLLED COPOLYMERIZATIONS IN TUBULAR REACTORS WITH LATERAL FEED |
| title_short | STOCHASTIC MODELING OF LIVING/CONTROLLED COPOLYMERIZATIONS IN TUBULAR REACTORS WITH LATERAL FEED |
| title_sort | stochastic modeling of living controlled copolymerizations in tubular reactors with lateral feed |
| topic | Polymerization Monte Carlo Microstructure Stochastic |
| url | https://periodicos.ufv.br/jcec/article/view/10453 |
| work_keys_str_mv | AT matheusdiasdecarvalho stochasticmodelingoflivingcontrolledcopolymerizationsintubularreactorswithlateralfeed AT tiagosilvamirandalemos stochasticmodelingoflivingcontrolledcopolymerizationsintubularreactorswithlateralfeed AT jorgedavidalguiarbellido stochasticmodelingoflivingcontrolledcopolymerizationsintubularreactorswithlateralfeed AT antoniomarcosdeoliveirasiqueira stochasticmodelingoflivingcontrolledcopolymerizationsintubularreactorswithlateralfeed |