I am trying to model carbon nanotubes functionalized with nanoparticles and dispersed in a prepolymer. The only problem is I am not sure what can be called as a ‘prepolymer’ from lammps point of view. If I just have a 3D periodic box filled with the molecules formed by combining diisocyanate with polyol, does that count as a prepolymer? Basically, I want it to be a viscous liquid, in which the individual carbon nanotubes are allowed to move. I am not looking to simulate the curing process as of yet. I just want to simulate the liquid dispersion. Any help / suggestion on how to correctly do that is greatly appreciated. Is there any way to no explicitly simulate the polymer chains but just simulate a viscous liquid with equivalent properties?
Thanks and regards,