are used as input. This iterative loop is repeated until the iterative process converges to the equilibrium state where the difference between t and ( ) 1 t + iterative steps in the density profiles is less than an error tolerance  . In this work,  = 0.01 and  = 110 -7 . LAMMPS package provides many pairwise interaction potentials to capture the intramolecular/intermolecular interactions. To model the hard-core interactions, shifted Lennard-Jones (LJ) potential ij u is used to impose a purely repulsive interaction between two particles, i.e.,