English

Dissipative particle dynamics simulation plus slip-springs for entangled polymers with various slip-spring densities

Soft Condensed Matter 2024-06-17 v1

Abstract

Slip-spring models are valuable tools for simulating entangled polymers, bridging the gap between bead-spring models with excluded volume and network models with presumed reptation motion. This study focuses on the DPD-SS (Dissipative Particle Dynamics - Slip-Spring) model, which introduces slip-springs into the standard DPD polymer model with soft-core interactions. By systematically adjusting the fugacity of slip-springs, the density of slip-springs within the system is varied. Simulation results demonstrate the compatibility of models with different slip-spring densities in terms of diffusion and linear relaxation modulus when the average number of slip-springs per chain is the same. The conversion between DPD-SS models concerning length and time is achieved through Rouse scaling, which utilizes the average number of DPD beads between consecutive anchoring points of slip-springs. Additionally, the modulus conversion is accomplished through the plateau modulus that takes account of fluctuations around entanglement. Notably, diffusion and relaxation modulus from the DPD-SS model align with those reported for standard Kremer-Grest and DPD models featuring strong repulsive interactions.

Keywords

Cite

@article{arxiv.2401.17565,
  title  = {Dissipative particle dynamics simulation plus slip-springs for entangled polymers with various slip-spring densities},
  author = {Yuichi Masubuchi and Hong-Xia Guo and Fan Wang and Bamim Khomami and Mahdi Boudaghi-Khajehnobar and Yuya Doi and Takato Ishida and Takashi Uneyama},
  journal= {arXiv preprint arXiv:2401.17565},
  year   = {2024}
}

Comments

19 pages, 9 figures

R2 v1 2026-06-28T14:32:39.775Z