Das, C orcid.org/0000-0002-1454-6210, Read, DJ orcid.org/0000-0003-1194-9273, Soulages, JM et al. (1 more author) (2014) Modeling of synthesis and flow properties of propylene-diene copolymers. Macromolecules, 47 (16). pp. 5860-5868. ISSN 0024-9297
Abstract
Copolymerization with nonconjugated dienes offers an attractive route for introducing long-chain branching in polypropylene. From a simplified set of rate equations for such copolymerization with a metallocene catalyst, we derive the probabilities of branch formation at different stages of the reaction in a semibatch reactor. Using these probabilities, we generate an ensemble of molecules via a Monte Carlo sampling. The knowledge of the branching topology and segment lengths allows us to compute the flow properties of the resins from computational rheology. We compare our model predictions with existing experimental data, namely the molar mass distribution and small amplitude oscillatory shear response, for a set of resins with varying diene content. The rheology data suggest that the entanglement time Ï.,e depends sensitively and in a well-defined fashion on the diene content.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | © 2014 American Chemical Society. This is an author produced version of a paper published in Macromolecules. Uploaded in accordance with the publisher's self-archiving policy. |
Dates: |
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Institution: | The University of Leeds |
Academic Units: | The University of Leeds > Faculty of Engineering & Physical Sciences (Leeds) > School of Mathematics (Leeds) > Applied Mathematics (Leeds) |
Depositing User: | Symplectic Publications |
Date Deposited: | 09 Oct 2014 12:53 |
Last Modified: | 15 Jan 2021 11:34 |
Published Version: | http://dx.doi.org/10.1021/ma5011205 |
Status: | Published |
Publisher: | American Chemical Society |
Identification Number: | 10.1021/ma5011205 |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:80482 |