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Influence of Knot Complexity on Glass-Formation in Ring Polymer Melts



Luis F. Vargas Lara, Beatriz Pazmino, Jack F. Douglas


We perform molecular dynamic simulations on a coarse-grained polymer melt to study the dynamics of glass-formation in ring polymer melts of variable knot complexity. After generating melts of non-concatenated polymeric rings having a range of minimum crossing number values, mc, we compute the coherent intermediate scattering function, the segmental alpha-relaxation time, fragility, and the glass transition temperature as a function of mc. Variation of knot complexity is found to have a significant effect on the dynamics of polymer melts since both molecular rigidity and packing are altered, primary physical factors governing glass-formation in polymeric materials.
Journal of Chemical Physics


polymer, glass transition, knotted rings, rings, dynamics, polymer melt


Vargas, L. , Pazmino, B. and Douglas, J. (2019), Influence of Knot Complexity on Glass-Formation in Ring Polymer Melts, Journal of Chemical Physics (Accessed April 23, 2024)
Created March 13, 2019, Updated April 24, 2020