English

Mesoscopic simulations of linear and ring polymer solutions with explicit hydrodynamics under good and poor solvent conditions

Soft Condensed Matter 2026-06-30 v1 Computational Physics

Abstract

We employ large-scale Dissipative Particle Dynamics simulations to investigate dilute solutions of linear polymers and unknotted, non-concatenated ring polymers in explicit solvent. By systematically varying solvent quality, we examine the interplay between hydrodynamic interactions, chain architecture, and intermolecular association. Under good solvent conditions, both linear and ring polymers remain expanded and well dispersed, displaying center-of-mass dynamics consistent with normal diffusion. In poor solvents, attractive polymer-polymer interactions drive the formation of irregular aggregates characterized by partial chain collapse, substantial interpenetration, and slower dynamics. Despite their different topologies, the two polymer architectures exhibit remarkably similar structural and dynamical responses across the solvent conditions considered. These results indicate that solvent quality largely determines the organization and transport properties of dilute polymer solutions, whereas topological effects remain comparatively weak in the investigated regime.

Keywords

Cite

@article{arxiv.2606.31656,
  title  = {Mesoscopic simulations of linear and ring polymer solutions with explicit hydrodynamics under good and poor solvent conditions},
  author = {Ashish Kumar Singh and Angelo Rosa},
  journal= {arXiv preprint arXiv:2606.31656},
  year   = {2026}
}

Comments

10 pages, 8 figures, submitted for publication