Modeling CNT nanoparticle dispersion in pre-polymer

Hi All,

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,

Your question is really about models, not LAMMPS. You
can look at the fix viscous or fix langevin commands, both
of which model an implicit solvent. For explicit, you
can model it with monomers or actual polymer chains.