Brownian dynamics simulation of reversible polymer networks using a non-interacting bead-and-spring chain model

A temporary network formed by associative polymers with many sticky groups is represented by the bead-and-spring chain model and its dynamics is studied using Brownian dynamics simulation. The model contains neither the network topology nor explicit interactions between chains. Instead, appropriate...

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Veröffentlicht in:Journal of non-Newtonian fluid mechanics 2007-10, Vol.146 (1), p.3-10
Hauptverfasser: Hernández Cifre, J.G., Pamies, R., Kjøniksen, A.-L., Knudsen, K.D., Nyström, B., García de la Torre, J.
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Sprache:eng
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Zusammenfassung:A temporary network formed by associative polymers with many sticky groups is represented by the bead-and-spring chain model and its dynamics is studied using Brownian dynamics simulation. The model contains neither the network topology nor explicit interactions between chains. Instead, appropriate transition rules are employed to represent the attachment of stickers (beads of the chain) to the network and the reverse process. Under simple shear flow the model is able to capture the main characteristics of temporary networks: Newtonian “plateau”, shear thickening and shear thinning. As a practical example, the model is applied to obtain the viscous behavior of a semidilute solution of hydrophobically modified hydroxyethyl cellulose.
ISSN:0377-0257
1873-2631
DOI:10.1016/j.jnnfm.2006.08.010