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Kinetics of network formation by end‐linking: A monte carlo study
Author(s) -
Trautenberg Hans Ludwig,
Sommer JensUwe,
Göritz Dietmar
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.19940810117
Subject(s) - kinetics , master equation , position (finance) , monte carlo method , cluster (spacecraft) , diffusion , linker , thermodynamics , crossover , chemical kinetics , statistical physics , materials science , chemistry , physics , mathematics , computer science , statistics , classical mechanics , finance , quantum mechanics , artificial intelligence , economics , quantum , programming language , operating system
End‐linked tetrafunctional model networks were simulated using the bond‐fluctuation algorithm. The kinetics of network formation was studied and compared with the solution of the rate equation for a four‐step process. A crossover from diffusion‐controlled to reaction‐controlled time behavior depending on the reaction speed was observed. For a reaction probability of 10 −3 per movement of an unreacted chain end and a cross‐linker into nearest neighbor position, the rate equation gives a satisfactory description of the kinetics of the reaction. The evolution of the largest cluster as well as local imperfections of the network were considered in detail. The evolution of the cyclic rank differs from the model of Queslel and Mark. The mobility of cross‐links of different functionality was measured.