LIQUID-LIQUID PHASE-TRANSITIONS IN PORESA

被引:45
作者
GOZDZ, WT
GUBBINS, KE
PANAGIOTOPOULOS, AZ
机构
[1] POLISH ACAD SCI,INST PHYS CHEM,UL KASPRZAKA 44-52,PL-01224 WARSAW,POLAND
[2] CORNELL UNIV,SCH CHEM ENGN,ITHACA,NY 14853
关键词
D O I
10.1080/00268979500100581
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
The behaviour of symmetric binary Lennard-Jones mixtures in narrow slit-like pores has been studied. Gibbs ensemble Monte Carlo simulation techniques have been used to examine the influence of confinement on phase separation for pores of different size and for different kinds of wall-fluid interaction. The phase coexistence curves and density profiles have been calculated. The critical point is shifted towards higher densities when the external potential becomes stronger or the pore width becomes smaller. Thus, the effect of confinement is to reduce the region of immiscibility.
引用
收藏
页码:825 / 834
页数:10
相关论文
共 25 条
[1]  
Allen MP., 1987, COMPUTER SIMULATION, DOI DOI 10.1093/OSO/9780198803195.001.0001
[2]   APPLICATION OF THE GIBBS ENSEMBLE TO THE STUDY OF FLUID-FLUID PHASE-EQUILIBRIUM IN A BINARY MIXTURE OF SYMMETRIC NON-ADDITIVE HARD-SPHERES [J].
AMAR, JG .
MOLECULAR PHYSICS, 1989, 67 (04) :739-745
[3]   LENNARD-JONES MIXTURES IN A CYLINDRICAL PORE. A COMPARISON OF SIMULATION AND DENSITY FUNCTIONAL THEORY [J].
Heffelfinger, Grant S. ;
Tan, Ziming ;
Gubbins, Keith E. ;
Marconi, Umberto Marini Bettolo ;
Van Swol, Frank .
MOLECULAR SIMULATION, 1989, 2 (4-6) :393-411
[4]   FLUID MIXTURES IN NARROW CYLINDRICAL PORES - COMPUTER-SIMULATION AND THEORY [J].
HEFFELFINGER, GS ;
TAN, Z ;
GUBBINS, KE ;
MARCONI, UMB ;
VANSWOL, F .
INTERNATIONAL JOURNAL OF THERMOPHYSICS, 1988, 9 (06) :1051-1060
[5]   MONTE-CARLO SIMULATION OF BINARY GAS-ADSORPTION IN ZEOLITE CAVITIES [J].
KARAVIAS, F ;
MYERS, AL .
MOLECULAR SIMULATION, 1991, 8 (1-2) :51-72
[6]   WETTING IN A CONFINED GEOMETRY - A MONTE-CARLO STUDY [J].
LIU, AJ ;
GREST, GS .
PHYSICAL REVIEW A, 1991, 44 (12) :R7894-R7897
[7]   WETTING TRANSITIONS IN A CYLINDRICAL PORE [J].
LIU, AJ ;
DURIAN, DJ ;
HERBOLZHEIMER, E ;
SAFRAN, SA .
PHYSICAL REVIEW LETTERS, 1990, 65 (15) :1897-1900
[8]  
MARCONI UMB, 1991, MOL PHYS, V72, P1081, DOI 10.1080/00268979100100781
[9]   FINITE SIZE EFFECTS FOR THE SIMULATION OF PHASE COEXISTENCE IN THE GIBBS ENSEMBLE NEAR THE CRITICAL-POINT [J].
MON, KK ;
BINDER, K .
JOURNAL OF CHEMICAL PHYSICS, 1992, 96 (09) :6989-6995
[10]   COMPUTER-SIMULATION OF FLUID FLUID PHASE COEXISTENCE IN MIXTURES OF NONADDITIVE SOFT DISKS [J].
MOUNTAIN, RD ;
HARVEY, AH .
JOURNAL OF CHEMICAL PHYSICS, 1991, 94 (03) :2238-2243