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Title

Influence of topology on effective potentials: coarse-graining ring polymers

AuthorsNarros, Arturo; Moreno Segurado, Ángel J. CSIC ORCID ; Likos, Christos N.
Issue Date2010
PublisherRoyal Society of Chemistry (UK)
CitationSoft Matter 6(11): 2435-2441 (2010)
AbstractWe employ computer simulations and integral equation theory techniques to perform coarse-graining of self-avoiding ring polymers with different knotedness and to derive effective interaction potentials between the centers of mass of these macromolecular entities. Different microscopic models for the monomer-monomer interactions and bonding are employed, bringing about an insensitivity of the effective interactions on the microscopic details and a convergence to a universal form for sufficiently long molecules. The pair effective interactions are shown to be accurate up to within the semidilute regime with additional, many-body forces becoming increasingly important as the polymer concentration grows. The dramatic effects of topological constraints in the form of interaction potentials are brought forward and critically discussed.
Publisher version (URL)https://doi.org/10.1039/C001523G
URIhttp://hdl.handle.net/10261/244686
DOIhttp://dx.doi.org/10.1039/C001523G
E-ISSN1744-6848
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