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arXiv · 1201.4275

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

Giuseppe D'Adamo·Andrea Pelissetto·Carlo Pierleoni
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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.

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Giuseppe D'Adamo, Andrea Pelissetto, Carlo Pierleoni. 2012-06-01. Consistent and transferrable coarse-grained model for semidilute polymer solutions in good solvent. https://doi.org/10.1063/1.4732851%5D

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