DOI: 10.5061/dryad.b14bh40
title: Data from: Slip-spring simulations of different constraint release environments for linear polymer chains

description: 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.
description: 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.xlsxSupplementary data of relaxation modulus of PI melt for Paper named "Slip-spring simulations of different constraint release environments for linear polymer chains"._revised versionThis 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