We found a match
Your institution may have access to this item. Find your institution then sign in to continue.
- Title
Influence of the sodium and calcium non-framework cations on the adsorption of hexane isomers in zeolite BEA.
- Authors
García-Pérez, Elena; Barcia, Patrick; Silva, José; Rodrigues, Alirio; Calero, Sofía
- Abstract
We have performed configurational-bias Monte Carlo simulations to compute pure component adsorption isotherms of n-hexane, 3-methylpentane and 2,2-dimethylbutane in BEA-Polymorphs A and B at 423 K. The effect of the density and nature of influence of non-framework cations was systematically analyzed. Our results show that differences in the type and concentration of the non-framework cations lead to differences in adsorption loading. We found that this behavior is directly related to the preferential adsorption sites of the isomers as well as to the amount and location of the non-framework cations.
- Subjects
CATIONS; ADSORPTION (Chemistry); HEXANE; OPTICAL isomers; ZEOLITES; MONTE Carlo method; SIMULATION methods & models; ATMOSPHERIC temperature; POLYMORPHISM (Crystallography)
- Publication
Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2011, Vol 128, Issue 4-6, p695
- ISSN
1432-881X
- Publication type
Academic Journal
- DOI
10.1007/s00214-010-0769-8