The Library will be performing maintenance on UWSpace on September 4th, 2024. UWSpace will be offline for all UW community members during this time.
 

Towards Olefin Multi-block Copolymers with Tailored Properties: A Molecular Perspective

Simple item page
dc.contributor.authorMohammadi, Yousef
dc.contributor.authorSaeb, Mohammad Reza
dc.contributor.authorPenlidis, Alexander
dc.contributor.authorJabbari, Esmaiel
dc.contributor.authorStadler, Florian
dc.contributor.authorZinck, Philippe
dc.contributor.authorVivaldo-Lima, Eduardo
dc.date.accessioned2023-03-16T20:02:12Z
dc.date.available2023-03-16T20:02:12Z
dc.date.issued2021-05
dc.descriptionThis is an Accepted Manuscript of an article published by Macromolecular Theory and Simulations (MTS), of Wiley. Mohammadi, Y., Saeb, M. R., Penlidis, A., Jabbari, E., Stadler, F. J., Zinck, P., & Vivaldo‐Lima, E. (2021). Toward olefin multiblock copolymers with tailored properties: A molecular perspective. Macromolecular Theory and Simulations, 30(3), 2100003. https://doi.org/10.1002/mats.202100003en
dc.description.abstractRecent progress in macromolecular reaction engineering has enabled the synthesis of sequence-controlled polymers. The advent of Olefin Block Copolymers (OBCs) via chain shuttling polymerization of ethylene with α-olefins has opened new horizons for the synthesis of polyolefins having a dual character of thermoplastics and elastomers. Nevertheless, the use of two catalysts with different comonomer selectivities and a chain shuttling agent, dragging and dropping live chains between active catalyst centers, made precise tailoring of OBCs microstructure containing hard and soft units a feasible challenge. This work discusses the possibility of predicting properties of OBCs from its simulated molecular patterns. The microstructural characteristics of OBCs are discussed in terms of topology-related and property-related features. An intelligent tool, which combines the benefits of Kinetic Monte Carlo simulation and Artificial Neural Network modeling, was used to explore the connection between polymerization recipe (catalyst composition, ethylene to 1-octene monomer ratio, and chain shuttling agent level) and topology-related as well as property-related microstructural features. The properties of target OBCs are reflected in the hard block percent, the number of 1-octene units in the copolymer chains, and the longest ethylene sequence length of the hard and soft segments.en
dc.identifier.urihttps://doi.org/10.1002/mats.202100003
dc.identifier.urihttp://hdl.handle.net/10012/19209
dc.language.isoenen
dc.publisherWileyen
dc.relation.ispartofseriesMacro-molecular Theory and Simulations;2100003
dc.subjectartificial intelligenceen
dc.subjectchain shuttlingen
dc.subjectcrystallinityen
dc.subjectkinetic Monte Carloen
dc.subjectolefin block copolymersen
dc.subjectthermoplastic elastomeren
dc.titleTowards Olefin Multi-block Copolymers with Tailored Properties: A Molecular Perspectiveen
dc.typeArticleen
dcterms.bibliographicCitationMohammadi, Y., Saeb, M. R., Penlidis, A., Jabbari, E., Stadler, F. J., Zinck, P., & Vivaldo‐Lima, E. (2021). Toward olefin multiblock copolymers with tailored properties: A molecular perspective. Macromolecular Theory and Simulations, 30(3), 2100003. https://doi.org/10.1002/mats.202100003en
uws.contributor.affiliation1Faculty of Engineeringen
uws.contributor.affiliation2Chemical Engineeringen
uws.peerReviewStatusRevieweden
uws.scholarLevelFacultyen
uws.typeOfResourceTexten

Files

Original bundle
Now showing 1 - 1 of 1
Thumbnail Image
Name:
OBC6 Manuscript Revised March 11 2021 (as accepted) UWSpace upload Aug 31 2022.pdf
Size:
4.08 MB
Format:
Adobe Portable Document Format
Description:
Main article
Download
License bundle
Now showing 1 - 1 of 1
No Thumbnail Available
Name:
license.txt
Size:
4.47 KB
Format:
Item-specific license agreed upon to submission
Description:
Download

Collections

Waterloo Research