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Descripción
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| Associating polymers are an exciting class of soft materials with uses in many fields like enhanced oil recovery, artificial skin, injectable biomaterials for drug delivery, and soft robotics. In contrast to their chemically cross-linked counterparts, these supramolecular networks are formed by reversible physical or chemical bonds whose rates of association/dissociation govern junction dynamics, and consequently, the rheological response of the networks. In this talk, I present results of Brownian dynamics simulations of a single chain model of unentangled coarse-grained associating star-shaped polymers, and establish a molecular picture of chain dynamics that agrees well with experiment. The simulations reveal three mechanisms of molecular diffusion: caged diffusion, walking diffusion, and molecular hopping, all of which depend strongly on polymer concentration, arm length, and the association/dissociation rate constants. The results from the molecular model establishes that previously reported superdiffusive scaling regimes result primarily from molecular hopping which only occurs when the kinetics of attachment are slower than the relaxation time of dangling strands. | |
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Internacional
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Nombre congreso
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III Workshop de la Red de Simulaci?on Molecular |
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Tipo de participación
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730 |
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Lugar del congreso
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Baiona, Pontevedra |
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Revisores
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ISBN o ISSN
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DOI
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Fecha inicio congreso
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18/06/2017 |
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Fecha fin congreso
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20/06/2017 |
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