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.
Supplementary data of relaxation modulus of PI melt for Paper named "Slip-spring simulations of different constraint release environments for linear polymer chains".
This file contains relaxation/storage/loss modulus results of PI melt computed by slip-spring simulations.
The Sheet "Fig1-4,6 G(t)" contains raw viscoelastic data computed by slip-spring for PI 21K/43K/99K/179K, both the monodisperse and probe situations described in our paper.
Sheet "Fig1-4,6 ε(t)" contains raw dielectric data computed by slip-spring for PI 21K/43K/99K/179K, both the monodisperse and probe situations described in our paper.
Sheet "Fig-5" contains data of stress relaxation functions ,the autocorrelation contribution and the cross-correlation
contribution of probe chains and the monodisperse melts with molecular weights of 43K.
Sheet "Fig7&8 f_d(t)" show f_d(t) data.
Sheet " Fig-9" contains simulated relaxation functions for PI 21K of different versions:probe version,coupling entanglements version
and lifetime version using eqn(4.1) and using exponential distribution.
Sheet "Fig11-PS177&60 " contains simulated viscoelastic storage and loss modulus for PS60,PS177,PS60&177%40 and PS60&177%60.
Sheet "Parameters fitted by Reptate" contains data fitted by Reptate from relaxation results G(t) in Sheet "Fig1-4,6 G(t)" and Sheet "Fig1-4,6 ε(t)".
supp1.xlsx
Supplementary data of relaxation modulus of PI melt for Paper named "Slip-spring simulations of different constraint release environments for linear polymer chains"._revised version
This file contains relaxation/storage/loss modulus results of PI melt computed by slip-spring simulations. The Sheet "Fig1-4,6 G(t)" contains raw viscoelastic data computed by slip-spring for PI 21K/43K/99K/179K, both the monodisperse and probe situations described in our paper. Sheet "Fig1-4,6 ε(t)" contains raw dielectric data computed by slip-spring for PI 21K/43K/99K/179K, both the monodisperse and probe situations described in our paper. Sheet "Fig-5" contains data of stress relaxation functions ,the autocorrelation contribution and the cross-correlation contribution of probe chains and the monodisperse melts with molecular weights of 43K. Sheet "Fig7&8 f_d(t)" show f_d(t) data. Sheet " Fig-9" contains simulated relaxation functions for PI 21K of different versions:probe version,coupling entanglements version and lifetime version using eqn(4.1) and using exponential distribution. Sheet "Fig11-PS177&60 " contains simulated viscoelastic storage and loss modulus for PS60,PS177,PS60&177%40 and PS60&177%60. Sheet "Parameters fitted by Reptate" contains data fitted by Reptate from relaxation results G(t) in Sheet "Fig1-4,6 G(t)" and Sheet "Fig1-4,6 ε(t)".
supp1_revised.xlsx
