Abstract
The purpose of this study is to investigate propane adsorption capacity in sodium and calcium form of faujasite (FAU)-type zeolites X and Y by performing Monte Carlo simulations in the grand-canonical ensemble (GCMC). Our results have shown that the nonframework cation number density and the interaction potentials between propane molecules and the nonframework cations are very important factors for influencing propane adsorption in FAU zeolites. For a given ratio of Si/Al, the adsorption of propane in both sodium and calcium FAU increases with the increasing nonframework cation number density, suggesting that an increase in the number of cations produces extra adsorption sites and leads to a higher amount of adsorption. For a given nonframework cation number density, the higher ratio of Si/Al allows the higher adsorption capacity due to the reduced charge density, i.e., the fewer calcium cations, but more sodium cations making the interaction energy more negative and consequently higher affinity between propane and the nonframework cations.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
