Mesoscale modelling of polymer aggregate digestion
| Autor: | Javor K. Novev, Julia M. Yeomans, Andreas Zöttl, Amin Doostmohammadi |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2019 |
| Předmět: |
Materials science
FOS: Physical sciences lcsh:TX341-641 02 engineering and technology engineering.material Condensed Matter - Soft Condensed Matter Applied Microbiology and Biotechnology Reaction rate 0404 agricultural biotechnology Fluid dynamics Weissenberg number Molecule Aggregate break-up chemistry.chemical_classification lcsh:TP368-456 04 agricultural and veterinary sciences Interaction energy Polymer 021001 nanoscience & nanotechnology 040401 food science lcsh:Food processing and manufacture chemistry Coarse-grained simulations Chemical physics Polymers under shear engineering Soft Condensed Matter (cond-mat.soft) Digestion Multiparticle collision dynamics Biopolymer Polymer dynamics 0210 nano-technology Shear flow lcsh:Nutrition. Foods and food supply Research Article Food Science Biotechnology |
| Zdroj: | Current Research in Food Science Novev, J K, Doostmohammadi, A, Zöttl, A & Yeomans, J M 2020, ' Mesoscale modelling of polymer aggregate digestion ', Current Research in Food Science, vol. 3, pp. 122-133 . https://doi.org/10.1016/j.crfs.2020.03.006 Current Research in Food Science, Vol 3, Iss, Pp 122-133 (2020) |
| DOI: | 10.1016/j.crfs.2020.03.006 |
| Popis: | We use mesoscale simulations to gain insight into the digestion of biopolymers by studying the break-up dynamics of polymer aggregates (boluses) bound by physical cross-links. We investigate aggregate evolution, establishing that the linking bead fraction and the interaction energy are the main parameters controlling stability with respect to diffusion. We show via a simplified model that chemical breakdown of the constituent molecules causes aggregates that would otherwise be stable to disperse. We further investigate breakdown of biopolymer aggregates in the presence of fluid flow. Shear flow in the absence of chemical breakdown induces three different regimes depending on the flow Weissenberg number (Wi). i) At Wi≪1, shear flow has a negligible effect on the aggregates. ii) At Wi∼1, the aggregates behave approximately as solid bodies and move and rotate with the flow. iii) At Wi≫1, the energy input due to shear overcomes the attractive cross-linking interactions and the boluses are broken up. Finally, we study bolus evolution under the combined action of shear flow and chemical breakdown, demonstrating a synergistic effect between the two at high reaction rates. Graphical abstract Image 1 Highlights • We study polymer aggregate digestion via coarse-grained mesoscale simulations. • The number and strength of physical cross-links control aggregate stability. • Shear flow can break the aggregates down at large Weissenberg numbers. • Introducing chemical breakdown disperses aggregates stable with respect to diffusion. • Chemical breakdown and shear act in synergy to disperse aggregates efficiently. |
| Databáze: | OpenAIRE |
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