2024-03-29T05:28:13Z
https://nagoya.repo.nii.ac.jp/oai
oai:nagoya.repo.nii.ac.jp:00027951
2023-01-16T04:20:13Z
320:321:322
Multichain Slip-Spring Simulations for Branch Polymers
Masubuchi, Yuichi
91015
Viscoelasticity
diffusion
coarse-graining
entanglement
branch point motion
Although the tube models have attained remarkable success, development of a simulation method for entangled branch polymer dynamics is still a challenge. In this study, the multichain slip-spring model has been examined to branch polymers for the first time. In the model, the bead–spring chains are dispersed in the simulation box, and the entanglement is mimicked by the virtual spring, so-called slip-spring, which connects the chains and hops along the chain. The slip-springs are created and destructed only at the chain ends. Besides, for the relaxation of entanglements formed between the backbone chains in the branch polymers, the hopping of the slip-spring across the branch point (SHAB) is additionally allowed when the branching arm relaxes. The simulation results for symmetric and asymmetric star and H branch polymers are in semiquantitative agreement with experimental and earlier simulation data extracted from the literature. Although the proposed simulation is compatible with the data for scarcely entangled systems, due to the computational difficulties the test against well-entangled systems remained unperformed, and the details of SHAB implementation remain open.
ファイル公開:2019-12-26
journal article
ACS Publications
2018-12-26
application/pdf
Macromolecules
24
51
10184
10193
0024-9297
https://nagoya.repo.nii.ac.jp/record/27951/files/Branch_Polymer_MCSS_revNov22.pdf
eng
https://doi.org/10.1021/acs.macromol.8b01739
“This document is the Accepted Manuscript version of a Published Work that appeared in final form in [Macromolecules], copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see [https://pubs.acs.org/articlesonrequest/AOR-jNdfmuGVhPDERfDqFdSf].”