Polymer chain buildup and network formation of imidazole-cured epoxy/phenol resins

A new algorithm of Monte Carlo (MC) simulation has been proposed for the im idazole/epoxy/phenol resin system. The strategy of the MC method is divided into two steps: the first is deciding the type of reaction mechanism, and then choosing the reacting functional groups. The structural properties cor responding to the conversion change, such as the average molecular weight, the molecular weight distribution, the sol-gel fraction, and the branch poi nt distribution of the sol part can be simulated by this method. The BPA mo lar ratio seems the most important factor in this system. Because it domina tes the final structure of the cured resins, either linear or branched. The theoretical results were compared and verified by the gel permeation chrom atography and the sol extraction analysis. Both theoretical and experimenta l results coincide with each other very successfully.