A NEW MODEL FOR PERMEABLE MICROPORES

被引:54
作者
POWLES, JG [1 ]
MURAD, S [1 ]
RAVI, PV [1 ]
机构
[1] UNIV KENT,DEPT PHYS,CANTERBURY CT2 7NR,ENGLAND
基金
美国国家科学基金会;
关键词
D O I
10.1016/0009-2614(92)85082-L
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
A model is proposed for the computer simulation of a fluid in pores of various geometries having walls of controllable permeability. The walls are produced by tethering atoms to the cyclically replicated faces of the basic cube. A particular example with variable anisotropic diffusion is discussed in detail.
引用
收藏
页码:21 / 24
页数:4
相关论文
共 10 条
[1]  
Allen M.P., 1987, COMPUTER SIMULATION
[2]  
[Anonymous], 1982, COMPUTER SIMULATION
[3]   MOLECULAR-DYNAMICS OF FLOW IN MICROPORES [J].
BITSANIS, I ;
MAGDA, JJ ;
TIRRELL, M ;
DAVIS, HT .
JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (03) :1733-1750
[4]  
CUSHMAN JH, 1991, IN PRESS FRONTIERS A
[5]  
GUBBINS KE, COMMUNICATION
[6]   Computer "Experiments" on Classical Fluids. III. Time-Dependent Self-Correlation Functions [J].
Levesque, Dominique ;
Verlet, Loup .
PHYSICAL REVIEW A-GENERAL PHYSICS, 1970, 2 (06) :2514-2528
[7]   COMPUTER-SIMULATION OF FLUIDS INTERACTING WITH FLUCTUATING WALLS [J].
LUPKOWSKI, M ;
VANSWOL, F .
JOURNAL OF CHEMICAL PHYSICS, 1990, 93 (01) :737-745
[8]   EQUATION OF STATE FOR THE LENNARD-JONES FLUID [J].
NICOLAS, JJ ;
GUBBINS, KE ;
STREETT, WB ;
TILDESLEY, DJ .
MOLECULAR PHYSICS, 1979, 37 (05) :1429-1454
[9]   NON-DESTRUCTIVE MOLECULAR-DYNAMICS SIMULATION OF THE CHEMICAL-POTENTIAL OF A FLUID [J].
POWLES, JG ;
EVANS, WAB ;
QUIRKE, N .
MOLECULAR PHYSICS, 1982, 46 (06) :1347-1370
[10]   THE LIQUID VAPOR COEXISTENCE LINE FOR LENNARD-JONES-TYPE FLUIDS [J].
POWLES, JG .
PHYSICA A, 1984, 126 (1-2) :289-299