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An Algorithm Based on Simple Rules for the Determination of the Architecture of Branched Polymer Molecules from the Number of Branching Points per Molecule
Author(s) -
Majesté JeanCharles,
Carrot Christian,
Stanescu PaulOctavian,
Mardon Coralie
Publication year - 2007
Publication title -
macromolecular theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 56
eISSN - 1521-3919
pISSN - 1022-1344
DOI - 10.1002/mats.200600077
Subject(s) - branching (polymer chemistry) , macromolecule , polymer , simple (philosophy) , molecule , algorithm , mathematics , chemistry , statistical physics , biological system , physics , organic chemistry , philosophy , biochemistry , epistemology , biology
A general simple algorithm is proposed to determine the average architecture of an acyclic branched polymer macromolecule from its number of branching points, whatever their functionality. The number of branching points can be derived from SEC measurements using a coupling of viscosimetric and refractometric detectors through the use of the Zimm‐Stockmayer equation. Since various isomers can be built for a given number of branching points, some basic rules are proposed in order to select the structures that are physically meaningful; the possibility of structural isomers has been also investigated and a probability of presence is assigned to each species starting from the compactness of the molecule. For each species corresponding to a given molecular weight in the sample, the average structure is then obtained from the number of branching points and the universal probability distribution of the isomers.