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Published on Jun 15, 2012
Heterogeneous catalysis involves solid catalysts and reactants in liquid or gas phase. Therefore, reactants are usually adsorbed on the surface of a catalyst before the reaction takes place. The adsorption process of single-atom Lennard-Jones fluid particles on two parallel infinite walls was simulated using Grand Canonical Monte Carlo method (GCMC). Snapshots were taken more frequently at the beginning to better demonstrate Monte Carlo moves.Equilibrium between the bulk and the adsorbed particles were eventually achieved.