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arxiv: cond-mat/0612459 · v1 · submitted 2006-12-18 · ❄️ cond-mat.soft · cond-mat.mtrl-sci

Relating monomer to center-of-mass distribution functions in macromolecular fluids: extension to arbitrary systems

classification ❄️ cond-mat.soft cond-mat.mtrl-sci
keywords arbitraryfluidsfunctionsmacromoleculesauxiliarycenter-of-masscenterscm-cm
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In the framework of the polymer reference interaction site model (PRISM) extended to incorporate the centers of mass (CM) of the groups of monomers constitutive of the macromolecules as auxiliary sites, a general relationship between the monomer-monomer and CM-CM pair correlation functions is derived for arbitrary mixtures of macromolecules of arbitrary structure. It extends previous results for homopolymer fluids and should be useful to develop semi-analytic coarse-grained descriptions of complex fluids.

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