CORRELATION-FUNCTIONS OF HARD-SPHERE FLUIDS ADSORBED IN POROUS-MEDIA

Citation
A. Meroni et al., CORRELATION-FUNCTIONS OF HARD-SPHERE FLUIDS ADSORBED IN POROUS-MEDIA, The Journal of chemical physics, 105(3), 1996, pp. 1101-1112
Citations number
12
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
105
Issue
3
Year of publication
1996
Pages
1101 - 1112
Database
ISI
SICI code
0021-9606(1996)105:3<1101:COHFAI>2.0.ZU;2-G
Abstract
We report Monte Carlo (MC) simulations for the pair correlation functi ons of a hard sphere fluid in a hard sphere matrix. In particular, we evaluate the blocking function h(b)(r) which is that part of the fluid pair correlation function which accounts for the correlation between fluid particles mediated through at least one matrix particle. The res ults are compared with integral equation theory. A scheme for determin ing the bridge functions is presented which predicts excellent agreeme nt of the pair structure with MC results. (C) 1996 American Institute of Physics.