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.
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14 July 2012
Research Article|
July 10 2012
Consistent and transferable coarse-grained model for semidilute polymer solutions in good solvent
Giuseppe D’Adamo;
Giuseppe D’Adamo
1Physics Department,
University of L’Aquila
, Via Vetoio, 67100 L’Aquila, Italy
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Andrea Pelissetto;
Andrea Pelissetto
2Physics Department, “Sapienza”
University of Rome
, 00185 Rome, Italy and INFN, Sezione di Roma I, P.le A.Moro 2, 00185 Rome, Italy
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Carlo Pierleoni
Carlo Pierleoni
a)
3Physics Department,
University of L’Aquila
, 67100 L’Aquila, Italy and CNISM, UdR L’Aquila, Via Vetoio, 67100 L’Aquila, Italy
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a)
Electronic mail: [email protected].
J. Chem. Phys. 137, 024901 (2012)
Article history
Received:
March 14 2012
Accepted:
June 19 2012
Citation
Giuseppe D’Adamo, Andrea Pelissetto, Carlo Pierleoni; Consistent and transferable coarse-grained model for semidilute polymer solutions in good solvent. J. Chem. Phys. 14 July 2012; 137 (2): 024901. https://doi.org/10.1063/1.4732851
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