화학공학소재연구정보센터
Polymer Bulletin, Vol.33, No.3, 377-384, 1994
Kinetic Monte-Carlo Simulation of Network Formation .2. Effect of System Size
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 10(7) monomeric units.