COMPUTER-SIMULATION OF NETWORK FORMATION VIA CROSS-LINKING COPOLYMERIZATION

The topology of networks formed by radical crosslinking copolymerizati on is strongly dependent on the type of crosslinker chosen. By a serie s of computer simulations, the influence of the relative reactivities of crosslinker and monomer on the network properties was investigated. Basic condition of the simulation is the postulation of a diffusion p rocess control of the polymerization reaction. The resulting networks are analyzed with respect to cycle rank, loop formation, dangling ends , sol fraction and crosslinker molecules reacted only by one double bo nd. The results of the computer simulations indicate that the reactivi ty of the crosslinker decisively affects the properties of the network . Particularly the cycle rank, which determines the elastic properties of the network, is influenced strongly by the reactivity of the cross linker. A change of the cycle rank of approximately one decade was obs erved. The influence of the reactivity was found to be most important in the region where the reactivity of the crosslinker is less than the reactivity of the monomer.