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Kinetic Monte-Carlo simulation of network formation
Authors:Ján ?omvársky  Karel Du?ek
Affiliation:(1) Institute of Macromolecular Chemistry, Academy of Sciences of the Czech Republic, 162 06 Prague 6, Czech Republic
Abstract:Summary the simulation described in Part I was applied to random step polyaddition of a trifunctional monomer and the results were compared with exact solution for an infinite system. The gel point conversions, the weight-average degree of polymerization before (P w) and beyond (P w,sol) the gel point, the sol fraction and the cycle rank were used for comparison. The best way for detection of the gel point conversion is the extrapolation of the gel fraction, w g, to w g=0. The largest fluctuations are exhibited by P w and P w,sol. To get results closer to the exact ones, one can repeat several experiments with smaller number of units or increase the number of units, the former way being somewhat more economical. Typical orders of magnitude used were 107 monomeric units.
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