The relevance of multi‐injection and temperature profiles to design multi‐phase reactive processing of polyolefins
- Author
- Julio César Hernández Ortiz (UGent) , Paul Van Steenberge (UGent) , Jan Duchateau, Carolina Toloza Porras, Fons Schreurs, Marie-Françoise Reyniers (UGent) , Guy Marin (UGent) and Dagmar D'hooge (UGent)
- Organization
- Abstract
- For industrial-scale continuous free radical induced grafting of polyethylene, which involves the contact of a monomer- and polymer-rich phase, it is demonstrated that the functionalization selectivity and grafting density can be significantly improved (e.g., 100%) by considering multiple injection of monomer and/or a temperature profile. With parameters taken from literature, it is highlighted through simulations that step-wise addition of monomer allows to reduce the homopolymerization rate, and an increased temperature at the start of the reactive processing allows to increase the hydrogen abstraction rate, so that more potential grafting points can be generated. As this increased grafting density goes along with a lower reaction extent, a better process efficiency is obtained albeit at a lowering of the average chain length of the grafts and an increase of the crosslinking density. In any case, a broader span of polymer characteristics (e.g., ranges of grafting/crosslinking densities and functionalization yields) can be achieved by including variations in reactant addition and temperature profiles.
- Keywords
- Inorganic Chemistry, Organic Chemistry, Materials Chemistry, Polymers and Plastics, Condensed Matter Physics, grafting, kinetic Monte Carlo, multiphase reaction, post-polymerization modification, reactive processing, TWIN-SCREW EXTRUDER, MALEIC-ANHYDRIDE, METHYL-METHACRYLATE, RATE COEFFICIENTS, INTERNAL MIXER, POLYPROPYLENE, COPOLYMERIZATION, POLYMERIZATION, POLYETHYLENE, OPTIMIZATION
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Citation
Please use this url to cite or link to this publication: http://hdl.handle.net/1854/LU-8635041
- MLA
- Hernández Ortiz, Julio César, et al. “The Relevance of Multi‐injection and Temperature Profiles to Design Multi‐phase Reactive Processing of Polyolefins.” MACROMOLECULAR THEORY AND SIMULATIONS, vol. 28, no. 6, 2019, doi:10.1002/mats.201900035.
- APA
- Hernández Ortiz, J. C., Van Steenberge, P., Duchateau, J., Toloza Porras, C., Schreurs, F., Reyniers, M.-F., … D’hooge, D. (2019). The relevance of multi‐injection and temperature profiles to design multi‐phase reactive processing of polyolefins. MACROMOLECULAR THEORY AND SIMULATIONS, 28(6). https://doi.org/10.1002/mats.201900035
- Chicago author-date
- Hernández Ortiz, Julio César, Paul Van Steenberge, Jan Duchateau, Carolina Toloza Porras, Fons Schreurs, Marie-Françoise Reyniers, Guy Marin, and Dagmar D’hooge. 2019. “The Relevance of Multi‐injection and Temperature Profiles to Design Multi‐phase Reactive Processing of Polyolefins.” MACROMOLECULAR THEORY AND SIMULATIONS 28 (6). https://doi.org/10.1002/mats.201900035.
- Chicago author-date (all authors)
- Hernández Ortiz, Julio César, Paul Van Steenberge, Jan Duchateau, Carolina Toloza Porras, Fons Schreurs, Marie-Françoise Reyniers, Guy Marin, and Dagmar D’hooge. 2019. “The Relevance of Multi‐injection and Temperature Profiles to Design Multi‐phase Reactive Processing of Polyolefins.” MACROMOLECULAR THEORY AND SIMULATIONS 28 (6). doi:10.1002/mats.201900035.
- Vancouver
- 1.Hernández Ortiz JC, Van Steenberge P, Duchateau J, Toloza Porras C, Schreurs F, Reyniers M-F, et al. The relevance of multi‐injection and temperature profiles to design multi‐phase reactive processing of polyolefins. MACROMOLECULAR THEORY AND SIMULATIONS. 2019;28(6).
- IEEE
- [1]J. C. Hernández Ortiz et al., “The relevance of multi‐injection and temperature profiles to design multi‐phase reactive processing of polyolefins,” MACROMOLECULAR THEORY AND SIMULATIONS, vol. 28, no. 6, 2019.
@article{8635041,
abstract = {{For industrial-scale continuous free radical induced grafting of polyethylene, which involves the contact of a monomer- and polymer-rich phase, it is demonstrated that the functionalization selectivity and grafting density can be significantly improved (e.g., 100%) by considering multiple injection of monomer and/or a temperature profile. With parameters taken from literature, it is highlighted through simulations that step-wise addition of monomer allows to reduce the homopolymerization rate, and an increased temperature at the start of the reactive processing allows to increase the hydrogen abstraction rate, so that more potential grafting points can be generated. As this increased grafting density goes along with a lower reaction extent, a better process efficiency is obtained albeit at a lowering of the average chain length of the grafts and an increase of the crosslinking density. In any case, a broader span of polymer characteristics (e.g., ranges of grafting/crosslinking densities and functionalization yields) can be achieved by including variations in reactant addition and temperature profiles.}},
articleno = {{1900035}},
author = {{Hernández Ortiz, Julio César and Van Steenberge, Paul and Duchateau, Jan and Toloza Porras, Carolina and Schreurs, Fons and Reyniers, Marie-Françoise and Marin, Guy and D'hooge, Dagmar}},
issn = {{1022-1344}},
journal = {{MACROMOLECULAR THEORY AND SIMULATIONS}},
keywords = {{Inorganic Chemistry,Organic Chemistry,Materials Chemistry,Polymers and Plastics,Condensed Matter Physics,grafting,kinetic Monte Carlo,multiphase reaction,post-polymerization modification,reactive processing,TWIN-SCREW EXTRUDER,MALEIC-ANHYDRIDE,METHYL-METHACRYLATE,RATE COEFFICIENTS,INTERNAL MIXER,POLYPROPYLENE,COPOLYMERIZATION,POLYMERIZATION,POLYETHYLENE,OPTIMIZATION}},
language = {{eng}},
number = {{6}},
pages = {{14}},
title = {{The relevance of multi‐injection and temperature profiles to design multi‐phase reactive processing of polyolefins}},
url = {{http://doi.org/10.1002/mats.201900035}},
volume = {{28}},
year = {{2019}},
}
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