1. Influence of non-geometrical factors on intracrystalline diffusion
- Author
-
Prakriteswar Santikary and Subramanian Yashonath
- Subjects
Ion exchange ,Chemistry ,Diffusion ,Sodium ,Inorganic chemistry ,Biophysics ,chemistry.chemical_element ,Condensed Matter Physics ,Molecular sieve ,Alkali metal ,Condensed Matter::Soft Condensed Matter ,Condensed Matter::Materials Science ,Molecular dynamics ,Chemical physics ,Physics::Atomic and Molecular Clusters ,Physical and Theoretical Chemistry ,Zeolite ,Molecular Biology - Abstract
Molecular dynamics simulations on Xe in NaY and Ar in NaCaA zeolite are reported. Rates of cage-to-cage crossovers in the two zeolites exhibit trends which are contrary to that expected from geometrical considerations. The results suggest the important role of the sorbate-zeolite interactions in determining the molecular sieve properties of zeolites for small sized sorbates. The results are explained in terms of the barrier height for cage-to-cage crossover in the two zeolites.
- Published
- 1993
- Full Text
- View/download PDF