Multiscale modeling of coarse-grained macromolecular liquids.

Abstract

A first-principle multiscale modeling approach is presented, which is derived from the solution of the Ornstein-Zernike equation for the coarse-grained representation of polymer liquids. The approach is analytical, and for this reason is transferable. It is here applied to determine the structure of several polymeric systems, which have different parameter… (More)
DOI: 10.1021/jp905071w

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