Primitive chain network simulations for branched polymers |
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Authors: | Yuichi Masubuchi Giovanni Ianniruberto Francesco Greco Giuseppe Marrucci |
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Affiliation: | (1) Department of Organic and Polymer Materials Chemistry, Tokyo University of Agriculture and Technology, Tokyo 184-8588, Japan;(2) Japan Science and Technology Agency, Tokyo 184-8588, Japan;(3) Dipartimento di Ingegneria Chimica, Università degli studi di Napoli “Federico II”, Naples, Italy;(4) Istituto per i Materiali Compositi e Biomedici-CNR, Piazzale Tecchio 80-80125, Naples, Italy |
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Abstract: | We present simulations of branched polymer dynamics based on a sliplink network model, which also accounts for topological change around branch points, i.e., for branch-point diffusion. It is well-known that, with the exception of stars, branched polymers may show a peculiar rheological behavior due to the exceptionally slow relaxation of the backbone chains bridging branch points. Though Brownian simulations based on sliplinks are powerful tools to study the motion of polymers and to predict rheological properties, none of the existing methods can simulate the relaxation of the bridge chains. The reason for that is lack of a rule for network topology rearrangement around branch points, so that entanglements between bridge chains cannot be renewed. Therefore, we introduce in this paper one possible branch-point mobility rule into our primitive chain network model. For star polymers, diffusion coefficients were calculated and compared with experiments. For both star and H-shaped polymers, diffusion was simulated both with and without the new rule, and the effect on linear viscoelasticity was also determined in one case. |
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Keywords: | Entanglements Brownian dynamics simulation Primitive chain network model Branched polymers Branch-point mobility |
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