Separating n-alkane mixtures by exploiting differences in the adsorption capacity within cages of CHA, AFX and ERI zeolites

The saturation capacity of n-alkanes in CHA, AFX and ERI zeolites, that consist of cages separated by windows, decreases with increasing carbon number. The major aim of the present communication is to demonstrate the possibility of separating n-alkane mixtures relying on differences in saturation capacities. To investigate this possibility, Configurational-Bias Monte Carlo simulations for adsorption of C3-nC6, nC4-nC6, and nC5-nC6 mixtures in CHA, AFX and ERI were carried out for equimolar bulk fluid phase. These mixture simulations show that for operation at fluid phase fugacities below about 1 MPa, the adsorbed phase in equilibrium with the bulk vapor phase is predominantly the alkane with the longer chain length, i.e. nC6. However, for operation at pressures in excess of 1 MPa, the adsorbed phase in equilibrium with the bulk liquid phase is richer in the component with the smaller chain length. In some cases, the nC6 is practically excluded from the zeolite. (c) 2007 Elsevier B.V. All rights reserved.