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PUBLICATIONS

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

Published

Author(s)

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

Abstract

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.
Citation
Journal of Chemical Physics
Pub Type
Journals

Keywords

polymer, glass transition, knotted rings, rings, dynamics, polymer melt
Polymers, Nanomaterials and Modeling and computational material science

Citation

Vargas, L. , Pazmino, B. and Douglas, J. (2019), Influence of Knot Complexity on Glass-Formation in Ring Polymer Melts, Journal of Chemical Physics (Accessed November 1, 2025)

Issues

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Created March 13, 2019, Updated April 24, 2020
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