Abstract
Adsorption of CO2 and N2 in nano-porous BEA having SiO2/Al2O3 of 25, BEA(25), was studied by combining equilibrium adsorption measurements and Grand Canonical Monte Carlo (GCMC) simulation. CO2 sorption is observed to show higher sorption capacity than N2 in all cation exchanged zeolite samples. On exchanging the BEA(25) with various cations, Li+, K+, Cs+, Ca2+, Sr2+, and Ba2+, the adsorption capacity of CO2 and N2 are increased in these type of zeolites. The isosteric heat of sorption data shows stronger interactions of both CO2 and N2 molecules in BEA(25) on decreasing size of the extra-framework cation. Simulation of the CO2 and N2 sorption in cation exchanged BEA(25) clearly shows that the adsorbed CO2 and N2 molecules sit closely to the extra-framework cations accessible through the large cage. Simulation of adsorption isotherms and heats of adsorption of CO2 and N2 in cation exchanged BEA(25) match reasonably well with the experimental results.
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