COMPUTER-SIMULATION OF THE FORMATION OF POLYMER NETWORKS

Complex crosslinked polymer structures can be quite easily modeled with the aid of computers. BIOSYM's implementation of an algorithm that has been developed by Eichinger and his co-workers over the last few years is described. This algorithm allows us to model both random (as in sulfur-cured rubber) and site-specific (as in end-linked silicones) crosslinking reactions. The simulation method provides detailed information on gel points, cycle rank, modulus of elasticity and other characteristics of the networks as they are formed. Illustrative results obtained with the program are presented.