The recovery of HCFC-22 is an urgent task for environment protection. In this work, we use the grand canonical Monte Carlo method to simulate the recovery of HCFC-22 in terms of a slit like activated carbon adsorbent. In our simulation, the molecule of HCFC-22 is modeled by using the effective Stockmayer potential developed by this group. Activated sites are introduced into the description of carbon walls. The Lennard-Jones(LJ) potential represents active sites, while defects are generated randomly to characterize the walls. The effect of adsorption pressure, solit width, and the density of active sites on the effective adsorption storage has been extensively simulated.Finally, optimum slit width,density of activated sites, and adsorption pressures at ambient temperature are recommended through simulations, which provides a basis for the design of the process for the adsorption recovery of HCFC-22.
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