Within the 3D domain, these are interacting pairwise among themselves and with the CBD according to the FFs. The CBD is modeled to be a group of spheres with a certain mass of carbon, binder (and solvent in the case of the slurry phase) with an effective density and nanoporosity of 50% which was found experimentally. Two FFs are used to represent the physiochemical properties of the slurry. These FFs are: (i) Lennard Jones (LJ) ; (ii) Granular Hertzian (GH) to represent the mechanical interactions of the granular media within the slurry phase. Both FFs are available in LAMMPS simulation software and reported in Eq. 1-2: