Abstract
The adsorption equilibria of ternary and quaternary mixtures of short linear alkanes, involving methane, ethane, propane, and n-butane, were simulated by using the configurational-bias Monte Carlo technique in grand canonical ensemble in MFI zeolite. The simulation results are in good agreement with the experimental data. The adsorption isotherms in MFI zeolite show that the longer chain component is preferentially adsorbed at low pressures. Its adsorption increases and then decreases as the pressure increases. But the shorter chain component is adsorbed at higher pressures and its adsorption increases as the pressure increases. The selectivity of ISV and MFI is much higher than that of MOR. The selectivity increases rapidly as the mole fraction of methane in the gas phase increases, but the change of selectivity of MOR is not obvious in an methane−ethane−propane mixture. The adsorbed amount in mixtures is in the order of ISV > MFI > MOR.
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