Correlation functions of hard sphere fluids adsorbed in porous media

被引:92
作者
Meroni, A
Levesque, D
Weis, JJ
机构
[1] Lab. Phys. Theor. et Hautes Energies, Bâtiment 211, Université de Paris-Sud
关键词
D O I
10.1063/1.471954
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We report Monte Carlo (MC) simulations for the pair correlation functions 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 results are compared with integral equation theory. A scheme for determining the bridge functions is presented which predicts excellent agreement of the pair structure with MC results. (C) 1996 American Institute of Physics.
引用
收藏
页码:1101 / 1112
页数:12
相关论文
共 12 条
[1]   STUDIES OF THE GAUSSIAN MODEL .1. THE ONE-COMPONENT SYSTEM [J].
BARAM, A ;
ROWLINSON, JS .
MOLECULAR PHYSICS, 1991, 74 (03) :707-713
[2]   FLUIDS IN EQUILIBRIUM WITH DISORDERED POROUS MATERIALS - INTEGRAL-EQUATION THEORY [J].
FANTI, LA ;
GLANDT, ED ;
MADDEN, WG .
JOURNAL OF CHEMICAL PHYSICS, 1990, 93 (08) :5945-5953
[3]  
FANTI LA, 1989, AICHE J, V35, P1983
[4]   FLUID DISTRIBUTIONS IN 2-PHASE RANDOM-MEDIA - ARBITRARY MATRICES [J].
GIVEN, JA ;
STELL, G .
JOURNAL OF CHEMICAL PHYSICS, 1992, 97 (06) :4573-4574
[5]   ON THE THERMODYNAMICS OF FLUIDS ADSORBED IN POROUS-MEDIA [J].
GIVEN, JA .
JOURNAL OF CHEMICAL PHYSICS, 1995, 102 (07) :2934-2945
[6]   THE REPLICA ORNSTEIN-ZERNIKE EQUATIONS AND THE STRUCTURE OF PARTLY QUENCHED MEDIA [J].
GIVEN, JA ;
STELL, GR .
PHYSICA A, 1994, 209 (3-4) :495-510
[7]   ORNSTEIN-ZERNIKE EQUATIONS AND SIMULATION RESULTS FOR HARD-SPHERE FLUIDS ADSORBED IN POROUS-MEDIA [J].
LOMBA, E ;
GIVEN, JA ;
STELL, G ;
WEIS, JJ ;
LEVESQUE, D .
PHYSICAL REVIEW E, 1993, 48 (01) :233-244
[8]   DISTRIBUTION-FUNCTIONS FOR FLUIDS IN RANDOM-MEDIA [J].
MADDEN, WG ;
GLANDT, ED .
JOURNAL OF STATISTICAL PHYSICS, 1988, 51 (3-4) :537-558
[9]   FLUID DISTRIBUTIONS IN RANDOM-MEDIA - ARBITRARY MATRICES [J].
MADDEN, WG .
JOURNAL OF CHEMICAL PHYSICS, 1992, 96 (07) :5422-5432
[10]   THERMODYNAMICS OF FLUIDS IN QUENCHED DISORDERED MATRICES - COMMENT [J].
MADDEN, WG .
JOURNAL OF CHEMICAL PHYSICS, 1995, 102 (13) :5572-5573