پديد آورندگان :
Ghiass Majid نويسنده , Dabir Bahram نويسنده , Nikazar Manouchehr نويسنده , Rey Alejandro D. نويسنده
چكيده لاتين :
AMonte Carlo approach based on kinetic gelation model is used to simulate the
kinetics of non-linear free radical copolymerization of vinyl-divinyl monomer mixtures
or chemical gelation, and to characterize kinetic effects on polymerization
statistics and microstructures. New algorithm for random selection of the next neighbour
site in a self-avoiding random walk and efficient mechanisms of mobility of components
are introduced to improve the universality of the predictions by removing commonly
occurring simulation deficiencies due to early trapping of radicals. The model has the
capability of predicting the onset of the sol-gel transition and the effect of chemical composition
on the transition point. It is shown that there is attained a better understanding
of microstructure evolution and appearance of gel phase during polymerization and
chemical gelation. Finally, one important benefit of the simulation method is the ability of
characterizing system in which, the dominant combination reaction leads to highly
branched structure.
