Mortimer, L.F. and Fairweather, M. (2023) Langevin Dynamics Prediction of Polymer-Particle Adsorption and Saturation Processes in Shear Flows. In: 10th International Symposium on Turbulence, Heat and Mass Transfer, THMT-23, Rome, Italy, 11-15 September 2023. 10th International Symposium on Turbulence, Heat and Mass Transfer, 11-15 Sep 2023, Rome. Begell House Inc. ISBN 978-1-56700-534-9
Abstract
Polymer-particle interactions, adsorption and subsequent polymer saturation in shear flows is studied using Langevin dynamics and a potential-based interaction modelling technique. The polymeric phase is modelled as macromolecular chains of interacting beads (monomers), with the effects of bead-bead and bead-particle steric interactions incorporated through a truncated Lennard-Jones potential and the Kratky-Porod bending rigidity accounted for. Simulations of multi-polymer particle adsorption events are performed, with the effects of bending rigidity studied. It is found that for low bending rigidities, polymers fully adsorb onto the particle, with conformities tightly bound and flattened to the spherical surface. Increased rigidities cause polymer chains to hang away from the particle surface. Around 75% adsorption is achieved for low rigidity polymers whereas for high rigidity, just over half of the monomers remain bound. Furthermore, it is demonstrated that increasing the rigidity leads to more monomers present in the surrounding area adsorption zone, constituting an increase in effective radius.
Metadata
Item Type: | Proceedings Paper |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | This item is protected by copyright. This is an author produced version of a conference paper published in 10th International Symposium on Turbulence, Heat and Mass Transfer, THMT-23, Rome, Italy, 11-15 September 2023. 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 Chemical & Process Engineering (Leeds) |
Funding Information: | Funder Grant number EPSRC (Engineering and Physical Sciences Research Council) EP/S01019X/1 |
Depositing User: | Symplectic Publications |
Date Deposited: | 06 Nov 2023 10:49 |
Last Modified: | 30 Sep 2024 00:13 |
Published Version: | https://www.dl.begellhouse.com/references/1bb33165... |
Status: | Published |
Publisher: | Begell House Inc. |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:204906 |