Consistent and transferable coarse-grained model for semidilute polymer solutions in good solvent.
We present a coarse-grained model for linear polymers with a tunable number of effective atoms (blobs) per chain interacting by intra- and intermolecular 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.
Physics Department, University of L'Aquila, Via Vetoio, 67100 L'Aquila, Italy.
Giuseppe
G
D'Adamo
Andrea
A
Pelissetto
Carlo
C
Pierleoni
D008958:Models, Molecular; D011108:Polymers / Q000737:chemistry*; D012996:Solutions; D012997:Solvents / Q000737:chemistry*
D011108:Polymers; D012996:Solutions; D012997:Solvents