Effect of a distribution of pore dimension on levitation effect

Citation
Ava. Kumar et S. Yashonath, Effect of a distribution of pore dimension on levitation effect, J PHYS CH B, 104(39), 2000, pp. 9126-9130
Citations number
16
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF PHYSICAL CHEMISTRY B
ISSN journal
15206106 → ACNP
Volume
104
Issue
39
Year of publication
2000
Pages
9126 - 9130
Database
ISI
SICI code
1520-6106(20001005)104:39<9126:EOADOP>2.0.ZU;2-S
Abstract
Existence of levitation effect in noncrystalline porous solids is verified by means of molecular dynamics simulations. By introducing a normal distrib ution (characterized by the half-width at half-maximum, sigma(G) = 0.1 and 0.5 Angstrom) of 12-ring window diameters disorder is introduced in crystal line faujasite. Investigation of motion of spherical sorbates within this d isordered host suggests that levitation effect persists though the intensit y of the anomalous peak is reduced compared to crystalline faujasite. In th e disordered host there is a breakdown of the linear relationship between t he self-diffusivity D and 1/sigma(gg)(2), where sigma(gg) is the sorbate di ameter. The activation energy is lowest and the energy barrier is negative for the particle whose sorbate diameter corresponds to the anomalous regime for most window diameters, sigma(w), while for the sorbate whose diameter lies in the linear regime, the energy barrier is always positive.