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Data from: Slip-spring simulations of different constraint release environments for linear polymer chains

Citation

Ma, Teng; Lin, Guochang; Tan, Huifeng (2020), Data from: Slip-spring simulations of different constraint release environments for linear polymer chains, Dryad, Dataset, https://doi.org/10.5061/dryad.b14bh40

Abstract

The constraint release(CR) mechanism has important effects on polymer relaxation and the chains will show different relaxation behavior in conditions of monodisperse, bidisperse and other topological environments. By comparing relaxation data of linear PI chains dissolved in very long matrix and monodisperse melts, Matsumiya et al. showed that CR mechanism accelerates both dielectric and viscoelastic relaxation[Matsumiya et al., 2013,46, 6067]. In this work, the experimental data reported by Matsumiya et al. are reproduced using the single slip-spring model(SSp) and the CR accelerating effects are validated by simulations. A variant of SSp with each entanglement assigning a characteristic lifetime is also proposed to simulate various CR environment flexibly. Using this lifetime version SSp model, the correct relaxation function can be obtained with equal numbers of entanglements destructions by CR and reptation/Contour length fluctuation(CLF) for monodisperse melts. Good agreement with published experiment data is also obtained for bidisperse melts, which validates the ability to correctly describe the CR environment of the lifetime version model.

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