Hello friends,
Do you have experience in producing carbon molecular sieves by pyrolysis of a polymer? 
I searched for this issue and found many experimental papers, but I didn't find a good article in simulation. They used simulation to see what products were produced after pyrolysis. They didn't investigate the adsorption process in simulation or say anything about choosing the dimension of the simulation box or density of the system. 
In the experimental methods, I found out that we must use a solvent to solve the polymer and decrease the density of polymer before pyrolysis; now, I want to know how to choose the correct density for my system?! 
I would appreciate it if someone could help me.
Best regards,
Ali