English

Consistent and transferrable coarse-grained model for semidilute polymer solutions in good solvent

Soft Condensed Matter 2012-07-17 v2 Statistical Mechanics Computational Physics

Abstract

We present a coarse-grained model for linear polymers with a tunable number of effective atoms (blobs) per chain interacting by intra- and inter-molecular potentials obtained at zero density. We show how this model is able to accurately reproduce the universal properties of the underlying solution of athermal linear chains at various levels of coarse-graining and in a range of chain densities which can be widened by increasing the spatial resolution of the multiblob representation, i.e., the number of blobs per chain. The present model is unique in its ability to quantitatively predict thermodynamic and large scale structural properties of polymer solutions deep in the semidilute regime with a very limited computational effort, overcoming most of the problems related to the simulations of semidilute polymer solutions in good solvent conditions.

Keywords

Cite

@article{arxiv.1201.4275,
  title  = {Consistent and transferrable coarse-grained model for semidilute polymer solutions in good solvent},
  author = {Giuseppe D'Adamo and Andrea Pelissetto and Carlo Pierleoni},
  journal= {arXiv preprint arXiv:1201.4275},
  year   = {2012}
}

Comments

19 pages, 15 figures, 3 tables

R2 v1 2026-06-21T20:07:31.420Z