ADSORPTION OF DIMERIZING AND DIMER FLUIDS IN DISORDERED POROUS-MEDIA

Citation
P. Padilla et al., ADSORPTION OF DIMERIZING AND DIMER FLUIDS IN DISORDERED POROUS-MEDIA, JOURNAL OF PHYSICAL CHEMISTRY B, 102(16), 1998, pp. 3012-3017
Citations number
38
Categorie Soggetti
Chemistry Physical
Journal title
JOURNAL OF PHYSICAL CHEMISTRY B
ISSN journal
15206106 → ACNP
Volume
102
Issue
16
Year of publication
1998
Pages
3012 - 3017
Database
ISI
SICI code
1089-5647(1998)102:16<3012:AODADF>2.0.ZU;2-B
Abstract
The pair distribution functions and the adsorption isotherms for a har d-core dimerizing fluid in disordered hard-sphere matrices have been d etermined using the associative extension of replica Ornstein-Zernike equations. Some grand canonical Monte Carlo simulation results for tan gent hard-sphere dumbbells adsorbed in hard-sphere matrices are presen ted. Theoretical predictions for the structure from the solutions of i ntegral equations with the associative hypernetted chain (HNC) and Per cus-Yevick (PY) approximation agree with those from the simulations. H owever, the HNC closure has been found to work better than the PY one.