Monte Carlo approach to the gas-liquid transition in porous materials

被引:71
作者
Alvarez, M
Levesque, D
Weis, JJ
机构
[1] Univ Paris Sud, Phys Theor Lab, F-91405 Orsay, France
[2] CSIC, Inst Quim Fis Rocasolano, E-28006 Madrid, Spain
来源
PHYSICAL REVIEW E | 1999年 / 60卷 / 05期
关键词
D O I
10.1103/PhysRevE.60.5495
中图分类号
O35 [流体力学]; O53 [等离子体物理学];
学科分类号
070204 ; 080103 ; 080704 ;
摘要
The gas-liquid transition of a "quenched-annealed" (QA) system is studied by grand-canonical Monte Carlo simulation. The "quenched" particles are hard spheres within configurations chosen randomly from those of an equilibrium hard-sphere system at given density. The fluid particles interact with the matrix particles by a hard-core potential and with each other by a hard-core potential and an additional potential of a Lennard-Jones type. Our results are in good qualitative agreement with various theoretical approaches. With increasing matrix density the critical temperature is lowered compared to that of the bulk system and the gap between the gas and liquid densities narrowed. Our simulations confirm, for this QA system, the possibility of two fluid-fluid transitions substituting for the unique gas-liquid transition of the bulk system. They demonstrate the necessity to average over a significant number of matrix realizations in order to obtain a-quantitative location of the phase coexistence lines. [S1063-651X(99)03311-5].
引用
收藏
页码:5495 / 5504
页数:10
相关论文
共 47 条
[1]   CONCENTRATION FLUCTUATIONS OF A BINARY-LIQUID MIXTURE IN A MACROPOROUS GLASS [J].
ALIEV, F ;
GOLDBURG, WI ;
WU, XL .
PHYSICAL REVIEW E, 1993, 47 (06) :R3834-R3837
[2]  
Allen M. P., 1987, J COMPUTER SIMULATIO, DOI DOI 10.2307/2938686
[3]   MULTICANONICAL ENSEMBLE - A NEW APPROACH TO SIMULATE 1ST-ORDER PHASE-TRANSITIONS [J].
BERG, BA ;
NEUHAUS, T .
PHYSICAL REVIEW LETTERS, 1992, 68 (01) :9-12
[4]  
BROCHARD F, 1983, J PHYS LETT-PARIS, V44, P785
[5]   Finite-size critical behavior in the Gibbs ensemble [J].
Bruce, AD .
PHYSICAL REVIEW E, 1997, 55 (03) :2315-2320
[6]   Helium in aerogel [J].
Chan, M ;
Mulders, N ;
Reppy, J .
PHYSICS TODAY, 1996, 49 (08) :30-37
[7]   LIQUID LIQUID DEMIXING INSIDE A RIGID NETWORK - QUALITATIVE FEATURES [J].
DEGENNES, PG .
JOURNAL OF PHYSICAL CHEMISTRY, 1984, 88 (26) :6469-6472
[8]   OPTIMIZED ANALYSIS OF THE CRITICAL-BEHAVIOR IN POLYMER MIXTURES FROM MONTE-CARLO SIMULATIONS [J].
DEUTSCH, HP .
JOURNAL OF STATISTICAL PHYSICS, 1992, 67 (5-6) :1039-1082
[9]   RANDOM-FIELD TRANSITION OF A BINARY-LIQUID IN A POROUS-MEDIUM [J].
DIERKER, SB ;
WILTZIUS, P .
PHYSICAL REVIEW LETTERS, 1987, 58 (18) :1865-1868
[10]   STATICS AND DYNAMICS OF A CRITICAL BINARY FLUID IN A POROUS-MEDIUM [J].
DIERKER, SB ;
WILTZIUS, P .
PHYSICAL REVIEW LETTERS, 1991, 66 (09) :1185-1188