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A monte carlo model of network formation by step‐growth: Star‐shaped structures developed at an isolated crosslink site
Author(s) -
Fawcett Allan H.,
Hamill Tony,
Mcbride Frederick V.,
Mee Richard A. W.
Publication year - 1994
Publication title -
macromolecular symposia
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.257
H-Index - 76
eISSN - 1521-3900
pISSN - 1022-1360
DOI - 10.1002/masy.19940810118
Subject(s) - valency , monte carlo method , molecule , lattice (music) , star (game theory) , statistical physics , divalent , chemical physics , physics , chemistry , materials science , crystallography , topology (electrical circuits) , combinatorics , mathematics , quantum mechanics , philosophy , linguistics , statistics , organic chemistry , astrophysics , acoustics
A Monte Carlo lattice model of step growth network formation from systems of divalent and multivalent molecules has been used to investigate the manner in which the latter function as nodes when diluted considerably be the former. Star molecules develop in the simulation, giving nodes that have pendent tails and loops. We show how the number and size of tails and loops is rather insensitive to the valency, f, of the nodes, and examine the distribution functions for the numbers of tails and loops present in the systems at the end of the reaction. Topological considerations created by a high number of valencies that might be expected to enhance molecule size are frustrated by the presence of adjacent segments of chains from developing the full structural potential.